N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide

C8H9ClN2OS2 — CID 80644124

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
SMILESNC(=S)CCNC(=O)c1sccc1Cl
InChIInChI=1S/C8H9ClN2OS2/c9-5-2-4-14-7(5)8(12)11-3-1-6(10)13/h2,4H,1,3H2,(H2,10,13)(H,11,12)
InChIKeyGMTRWXSFLUFBER-UHFFFAOYSA-N
MW248.76 g/mol
LogP1.81
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide (PubChem CID 80644124) has the molecular formula C8H9ClN2OS2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
PubChem CID80644124
Molecular FormulaC8H9ClN2OS2
Molecular Weight248.76 g/mol
Exact Mass247.98
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
SMILESNC(=S)CCNC(=O)c1sccc1Cl
InChIInChI=1S/C8H9ClN2OS2/c9-5-2-4-14-7(5)8(12)11-3-1-6(10)13/h2,4H,1,3H2,(H2,10,13)(H,11,12)
InChIKeyGMTRWXSFLUFBER-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide 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-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645328
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
N-carbamoyl-3-chlorothiophene-2-carboxamide
CID 80642165
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide
CID 80644976
3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
CID 80645274
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide
CID 80645165
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
CID 106307128
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-chlorothiophene-2-carboxamide
CID 80642272
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
3-chloro-N-[(E)-4-chlorobut-2-enyl]thiophene-2-carboxamide
CID 81429084

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide (CID 80644124) is N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide is NC(=S)CCNC(=O)c1sccc1Cl.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide?
The InChIKey is GMTRWXSFLUFBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS2/c9-5-2-4-14-7(5)8(12)11-3-1-6(10)13/h2,4H,1,3H2,(H2,10,13)(H,11,12).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide has a molecular weight of 248.76 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 80644124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).