(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

C18H28N2S2 — CID 102187363

IUPAC(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1SSC1=CC=CC1[C@@H](C)N(C)C)N(C)C
InChIInChI=1S/C18H28N2S2/c1-13(19(3)4)15-9-7-11-17(15)21-22-18-12-8-10-16(18)14(2)20(5)6/h7-16H,1-6H3/t13-,14-,15?,16?/m1/s1
InChIKeyMSOCXJQUVACXMC-WXLSXGNJSA-N
MW336.57 g/mol
LogP4.41
Rot. Bonds7

About (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 102187363) has the molecular formula C18H28N2S2 and a molecular weight of 336.57 g/mol. Its IUPAC name is (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID102187363
Molecular FormulaC18H28N2S2
Molecular Weight336.57 g/mol
Exact Mass336.17
IUPAC Name(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1SSC1=CC=CC1[C@@H](C)N(C)C)N(C)C
InChIInChI=1S/C18H28N2S2/c1-13(19(3)4)15-9-7-11-17(15)21-22-18-12-8-10-16(18)14(2)20(5)6/h7-16H,1-6H3/t13-,14-,15?,16?/m1/s1
InChIKeyMSOCXJQUVACXMC-WXLSXGNJSA-N
XLogP4.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 89256715
(1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 134858973
(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine
CID 101081109
N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine
CID 139266431
cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium
CID 174241545
(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol
CID 135001261
(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
CID 101152941
(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 15204285
1-cyclopropyl-N,N-dimethylethanamine
CID 10129924
(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol
CID 87894089
2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride
CID 102373613
(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 162411834

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (CID 102187363) is (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is C[C@H](C1C=CC=C1SSC1=CC=CC1[C@@H](C)N(C)C)N(C)C.
What is the InChIKey of (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is MSOCXJQUVACXMC-WXLSXGNJSA-N. The full InChI is InChI=1S/C18H28N2S2/c1-13(19(3)4)15-9-7-11-17(15)21-22-18-12-8-10-16(18)14(2)20(5)6/h7-16H,1-6H3/t13-,14-,15?,16?/m1/s1.
What are the key properties of (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 336.57 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 102187363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).