N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide

C10H13ClN2OS2 — CID 80643926

IUPACN-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
SMILESNC(=S)CCCCNC(=O)c1sccc1Cl
InChIInChI=1S/C10H13ClN2OS2/c11-7-4-6-16-9(7)10(14)13-5-2-1-3-8(12)15/h4,6H,1-3,5H2,(H2,12,15)(H,13,14)
InChIKeyZKWFWTKHLYBXCJ-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.59
Rot. Bonds6

About N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide

N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide (PubChem CID 80643926) has the molecular formula C10H13ClN2OS2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
PubChem CID80643926
Molecular FormulaC10H13ClN2OS2
Molecular Weight276.81 g/mol
Exact Mass276.02
IUPAC NameN-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
SMILESNC(=S)CCCCNC(=O)c1sccc1Cl
InChIInChI=1S/C10H13ClN2OS2/c11-7-4-6-16-9(7)10(14)13-5-2-1-3-8(12)15/h4,6H,1-3,5H2,(H2,12,15)(H,13,14)
InChIKeyZKWFWTKHLYBXCJ-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.59
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-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645328
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
N-(4-amino-4-sulfanylidenebutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103401796
3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
CID 80645274
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
CID 106307128
N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
CID 81267427
N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
CID 62666216
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-4-chlorobenzamide
CID 114025855
N-carbamoyl-3-chlorothiophene-2-carboxamide
CID 80642165
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide
CID 80644976

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide (CID 80643926) is N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide is NC(=S)CCCCNC(=O)c1sccc1Cl.
What is the InChIKey of N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide?
The InChIKey is ZKWFWTKHLYBXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS2/c11-7-4-6-16-9(7)10(14)13-5-2-1-3-8(12)15/h4,6H,1-3,5H2,(H2,12,15)(H,13,14).
What are the key properties of N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide?
N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide has a molecular weight of 276.81 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 80643926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).