N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide

C10H13ClN2OS2 — CID 103401796

IUPACN-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCCC(N)=S)c1Cl
InChIInChI=1S/C10H13ClN2OS2/c1-6-5-16-9(8(6)11)10(14)13-4-2-3-7(12)15/h5H,2-4H2,1H3,(H2,12,15)(H,13,14)
InChIKeyWCCMFDQGVNTDLJ-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.51
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide

N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103401796) has the molecular formula C10H13ClN2OS2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103401796
Molecular FormulaC10H13ClN2OS2
Molecular Weight276.81 g/mol
Exact Mass276.02
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCCC(N)=S)c1Cl
InChIInChI=1S/C10H13ClN2OS2/c1-6-5-16-9(8(6)11)10(14)13-4-2-3-7(12)15/h5H,2-4H2,1H3,(H2,12,15)(H,13,14)
InChIKeyWCCMFDQGVNTDLJ-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
N-but-3-enyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103403000
N-but-3-ynyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405315
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
CID 103406198
3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 103403401
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239005
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
CID 62666216

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide (CID 103401796) is N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCCCC(N)=S)c1Cl.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is WCCMFDQGVNTDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS2/c1-6-5-16-9(8(6)11)10(14)13-4-2-3-7(12)15/h5H,2-4H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 276.81 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).