N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide

C11H16N2OS2 — CID 65239005

IUPACN-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCC(N)=S)sc1C
InChIInChI=1S/C11H16N2OS2/c1-7-6-9(16-8(7)2)11(14)13-5-3-4-10(12)15/h6H,3-5H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyCPIWMUXIXZIUDW-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.16
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide

N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65239005) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID65239005
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCC(N)=S)sc1C
InChIInChI=1S/C11H16N2OS2/c1-7-6-9(16-8(7)2)11(14)13-5-3-4-10(12)15/h6H,3-5H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyCPIWMUXIXZIUDW-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.16
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-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627911
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
N-(4-amino-4-sulfanylidenebutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 62666403
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65239054
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 103767606
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
N-(3-carbamothioylpentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65238698

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide (CID 65239005) is N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCCCC(N)=S)sc1C.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is CPIWMUXIXZIUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-7-6-9(16-8(7)2)11(14)13-5-3-4-10(12)15/h6H,3-5H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide?
N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 256.40 g/mol, XLogP of 2.16, 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)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65239005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).