N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide

C11H15NO2S2 — CID 106137759

IUPACN-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cc(S)cs1
InChIInChI=1S/C11H15NO2S2/c13-8-2-1-7(3-8)5-12-11(14)10-4-9(15)6-16-10/h4,6-8,13,15H,1-3,5H2,(H,12,14)
InChIKeyAIWWBWALGBHRRU-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.93
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 106137759) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID106137759
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cc(S)cs1
InChIInChI=1S/C11H15NO2S2/c13-8-2-1-7(3-8)5-12-11(14)10-4-9(15)6-16-10/h4,6-8,13,15H,1-3,5H2,(H,12,14)
InChIKeyAIWWBWALGBHRRU-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107031671
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 103280071
3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118737
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704
N-[(3-hydroxycyclopentyl)methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 103280717
4,5-difluoro-2-[(3-hydroxycyclopentyl)methylcarbamoyl]benzoic acid
CID 106120281
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-[(3-hydroxycyclopentyl)methyl]pyrimidine-5-carboxamide
CID 103280499
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 106137759) is N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide is O=C(NCC1CCC(O)C1)c1cc(S)cs1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is AIWWBWALGBHRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c13-8-2-1-7(3-8)5-12-11(14)10-4-9(15)6-16-10/h4,6-8,13,15H,1-3,5H2,(H,12,14).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 106137759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).