N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide

C11H13ClN2OS2 — CID 103401824

IUPACN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(C(N)=S)C2CC2)c1Cl
InChIInChI=1S/C11H13ClN2OS2/c1-5-4-17-9(7(5)12)11(15)14-8(10(13)16)6-2-3-6/h4,6,8H,2-3H2,1H3,(H2,13,16)(H,14,15)
InChIKeySZHPUAYKEZFSMT-UHFFFAOYSA-N
MW288.83 g/mol
LogP2.50
Rot. Bonds4

About N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103401824) has the molecular formula C11H13ClN2OS2 and a molecular weight of 288.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103401824
Molecular FormulaC11H13ClN2OS2
Molecular Weight288.83 g/mol
Exact Mass288.02
IUPAC NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(C(N)=S)C2CC2)c1Cl
InChIInChI=1S/C11H13ClN2OS2/c1-5-4-17-9(7(5)12)11(15)14-8(10(13)16)6-2-3-6/h4,6,8H,2-3H2,1H3,(H2,13,16)(H,14,15)
InChIKeySZHPUAYKEZFSMT-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.83
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103401768
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103404961
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 103400274
3-chloro-N-(1-cyanoethyl)-4-methylthiophene-2-carboxamide
CID 103401616
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-bromo-3-methylbenzamide
CID 114023827
3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103401856
N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103401796
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 103403171
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethanone
CID 103407872

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide (CID 103401824) is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC(C(N)=S)C2CC2)c1Cl.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is SZHPUAYKEZFSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS2/c1-5-4-17-9(7(5)12)11(15)14-8(10(13)16)6-2-3-6/h4,6,8H,2-3H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 288.83 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).