N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide

C11H15NOS2 — CID 107022608

IUPACN-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCC1CCCC1)c1cc(S)cs1
InChIInChI=1S/C11H15NOS2/c13-11(10-5-9(14)7-15-10)12-6-8-3-1-2-4-8/h5,7-8,14H,1-4,6H2,(H,12,13)
InChIKeyAKRSAJJXDPEWRJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.96
Rot. Bonds3

About N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide

N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107022608) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107022608
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC NameN-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCC1CCCC1)c1cc(S)cs1
InChIInChI=1S/C11H15NOS2/c13-11(10-5-9(14)7-15-10)12-6-8-3-1-2-4-8/h5,7-8,14H,1-4,6H2,(H,12,13)
InChIKeyAKRSAJJXDPEWRJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107031671
N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 106137759
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
CID 114136943
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
[3-(methoxymethyl)piperidin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107037197
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide (CID 107022608) is N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide is O=C(NCC1CCCC1)c1cc(S)cs1.
What is the InChIKey of N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is AKRSAJJXDPEWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c13-11(10-5-9(14)7-15-10)12-6-8-3-1-2-4-8/h5,7-8,14H,1-4,6H2,(H,12,13).
What are the key properties of N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide?
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107022608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).