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

C13H17ClN2OS2 — CID 103401827

IUPACN-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(CC(N)=S)C2CCCC2)c1Cl
InChIInChI=1S/C13H17ClN2OS2/c1-8-7-19-12(11(8)14)13(17)16(6-10(15)18)9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H2,15,18)
InChIKeyBHUPLORAHKDFKA-UHFFFAOYSA-N
MW316.88 g/mol
LogP3.38
Rot. Bonds4

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

N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide (PubChem CID 103401827) has the molecular formula C13H17ClN2OS2 and a molecular weight of 316.88 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide
PubChem CID103401827
Molecular FormulaC13H17ClN2OS2
Molecular Weight316.88 g/mol
Exact Mass316.05
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(CC(N)=S)C2CCCC2)c1Cl
InChIInChI=1S/C13H17ClN2OS2/c1-8-7-19-12(11(8)14)13(17)16(6-10(15)18)9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H2,15,18)
InChIKeyBHUPLORAHKDFKA-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide (CID 103401827) is N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)N(CC(N)=S)C2CCCC2)c1Cl.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide?
The InChIKey is BHUPLORAHKDFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS2/c1-8-7-19-12(11(8)14)13(17)16(6-10(15)18)9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H2,15,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide has a molecular weight of 316.88 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).