N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide

C13H19NOS2 — CID 114136943

IUPACN-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCCCC1CCCC1)c1cc(S)cs1
InChIInChI=1S/C13H19NOS2/c15-13(12-8-11(16)9-17-12)14-7-3-6-10-4-1-2-5-10/h8-10,16H,1-7H2,(H,14,15)
InChIKeyPIBKUIMMZSODFZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.74
Rot. Bonds5

About N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide

N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 114136943) has the molecular formula C13H19NOS2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID114136943
Molecular FormulaC13H19NOS2
Molecular Weight269.43 g/mol
Exact Mass269.09
IUPAC NameN-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCCCC1CCCC1)c1cc(S)cs1
InChIInChI=1S/C13H19NOS2/c15-13(12-8-11(16)9-17-12)14-7-3-6-10-4-1-2-5-10/h8-10,16H,1-7H2,(H,14,15)
InChIKeyPIBKUIMMZSODFZ-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107031671
N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 106137759
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107024051
N-[3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111946593
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
CID 55774303

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide (CID 114136943) is N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide is O=C(NCCCC1CCCC1)c1cc(S)cs1.
What is the InChIKey of N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is PIBKUIMMZSODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c15-13(12-8-11(16)9-17-12)14-7-3-6-10-4-1-2-5-10/h8-10,16H,1-7H2,(H,14,15).
What are the key properties of N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide?
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 114136943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).