N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine

C11H18ClNS2 — CID 107359767

IUPACN-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCC)c1sccc1Cl
InChIInChI=1S/C11H18ClNS2/c1-3-6-13-10(8-14-4-2)11-9(12)5-7-15-11/h5,7,10,13H,3-4,6,8H2,1-2H3
InChIKeyZTYKOOLXRZJBFP-UHFFFAOYSA-N
MW263.86 g/mol
LogP4.20
Rot. Bonds7

About N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine

N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine (PubChem CID 107359767) has the molecular formula C11H18ClNS2 and a molecular weight of 263.86 g/mol. Its IUPAC name is N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
PubChem CID107359767
Molecular FormulaC11H18ClNS2
Molecular Weight263.86 g/mol
Exact Mass263.06
IUPAC NameN-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCC)c1sccc1Cl
InChIInChI=1S/C11H18ClNS2/c1-3-6-13-10(8-14-4-2)11-9(12)5-7-15-11/h5,7,10,13H,3-4,6,8H2,1-2H3
InChIKeyZTYKOOLXRZJBFP-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.86
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-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

N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
1-(3-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190699
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 65127726
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
CID 107361897

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine (CID 107359767) is N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine is CCCNC(CSCC)c1sccc1Cl.
What is the InChIKey of N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine?
The InChIKey is ZTYKOOLXRZJBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNS2/c1-3-6-13-10(8-14-4-2)11-9(12)5-7-15-11/h5,7,10,13H,3-4,6,8H2,1-2H3.
What are the key properties of N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine?
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine has a molecular weight of 263.86 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 107359767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).