N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine

C8H10ClNS2 — CID 117032952

IUPACN-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine
SMILESClc1ccc(SCNC2CC2)s1
InChIInChI=1S/C8H10ClNS2/c9-7-3-4-8(12-7)11-5-10-6-1-2-6/h3-4,6,10H,1-2,5H2
InChIKeyXOLHEHAIZLLCIB-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.20
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine

N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine (PubChem CID 117032952) has the molecular formula C8H10ClNS2 and a molecular weight of 219.76 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine
PubChem CID117032952
Molecular FormulaC8H10ClNS2
Molecular Weight219.76 g/mol
Exact Mass218.99
IUPAC NameN-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine
SMILESClc1ccc(SCNC2CC2)s1
InChIInChI=1S/C8H10ClNS2/c9-7-3-4-8(12-7)11-5-10-6-1-2-6/h3-4,6,10H,1-2,5H2
InChIKeyXOLHEHAIZLLCIB-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine 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

2-chloro-5-ethylsulfanylthiophene
CID 55269590
N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine
CID 117032940
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine
CID 117033083
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride
CID 110185823
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
CID 117032644
2-(5-chlorothiophen-2-yl)-3-(cyclopropylamino)propan-1-ol
CID 117240288
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate
CID 117033998

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine (CID 117032952) is N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine is Clc1ccc(SCNC2CC2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine?
The InChIKey is XOLHEHAIZLLCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS2/c9-7-3-4-8(12-7)11-5-10-6-1-2-6/h3-4,6,10H,1-2,5H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine?
N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine has a molecular weight of 219.76 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine is sourced from PubChem (CID 117032952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).