(2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine

C12H23NS — CID 163672391

IUPAC(2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine
SMILESCCSC[C@@H](C)NCC1=CCCCC1
InChIInChI=1S/C12H23NS/c1-3-14-10-11(2)13-9-12-7-5-4-6-8-12/h7,11,13H,3-6,8-10H2,1-2H3/t11-/m1/s1
InChIKeyJDRXBGHITRGDKV-LLVKDONJSA-N
MW213.39 g/mol
LogP3.22
Rot. Bonds6

About (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine

(2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine (PubChem CID 163672391) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine
PubChem CID163672391
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine
SMILESCCSC[C@@H](C)NCC1=CCCCC1
InChIInChI=1S/C12H23NS/c1-3-14-10-11(2)13-9-12-7-5-4-6-8-12/h7,11,13H,3-6,8-10H2,1-2H3/t11-/m1/s1
InChIKeyJDRXBGHITRGDKV-LLVKDONJSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine 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

3-fluoro-N-methyl-4-methylsulfanylcyclohex-2-en-1-amine
CID 169834968
2-[(E)-2-(2-pyridyl)ethenyl]thiophene
CID 175646577
2-Methyl-5-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
CID 71166153
(2S)-3-methylidene-2-(2-methylsulfanylethyl)piperidine
CID 89180058
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
(3S)-N-ethyl-4-methylidene-1-methylsulfanylheptan-3-amine
CID 89354545
(3S)-2-methyl-5-methylsulfanyl-N-pentylpent-1-en-3-amine
CID 89733499
(3S)-N-ethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 89976814
6-Methyl-2,3,4,4a,5,8,9,9a-octahydrocyclohepta[b][1,4]thiazine
CID 91482375
N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine
CID 116095058
4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)-1,2,3,6-tetrahydropyridine
CID 123222101
6-(Cyclohexen-1-ylsulfanylmethyl)piperidine-2-carbothialdehyde
CID 124009240

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine?
The IUPAC name of (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine (CID 163672391) is (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine.
What is the SMILES notation for (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine?
The canonical SMILES for (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine is CCSC[C@@H](C)NCC1=CCCCC1.
What is the InChIKey of (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine?
The InChIKey is JDRXBGHITRGDKV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NS/c1-3-14-10-11(2)13-9-12-7-5-4-6-8-12/h7,11,13H,3-6,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine?
(2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine has a molecular weight of 213.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 163672391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).