N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine

C17H23ClN2S2 — CID 142506310

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine
SMILESCCN(CC)Sc1ccc(C(C)NCc2ccc(Cl)s2)cc1
InChIInChI=1S/C17H23ClN2S2/c1-4-20(5-2)22-15-8-6-14(7-9-15)13(3)19-12-16-10-11-17(18)21-16/h6-11,13,19H,4-5,12H2,1-3H3
InChIKeyXUKDTRGAKYUWNB-UHFFFAOYSA-N
MW354.97 g/mol
LogP5.60
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine (PubChem CID 142506310) has the molecular formula C17H23ClN2S2 and a molecular weight of 354.97 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine
PubChem CID142506310
Molecular FormulaC17H23ClN2S2
Molecular Weight354.97 g/mol
Exact Mass354.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine
SMILESCCN(CC)Sc1ccc(C(C)NCc2ccc(Cl)s2)cc1
InChIInChI=1S/C17H23ClN2S2/c1-4-20(5-2)22-15-8-6-14(7-9-15)13(3)19-12-16-10-11-17(18)21-16/h6-11,13,19H,4-5,12H2,1-3H3
InChIKeyXUKDTRGAKYUWNB-UHFFFAOYSA-N
XLogP5.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.97
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine 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

(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664
N-[4-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]propanamide;hydrochloride
CID 47030478
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 28655921
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 28653095

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine (CID 142506310) is N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine is CCN(CC)Sc1ccc(C(C)NCc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine?
The InChIKey is XUKDTRGAKYUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2S2/c1-4-20(5-2)22-15-8-6-14(7-9-15)13(3)19-12-16-10-11-17(18)21-16/h6-11,13,19H,4-5,12H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine has a molecular weight of 354.97 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine is sourced from PubChem (CID 142506310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).