N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide

C10H15NOS3 — CID 107035311

IUPACN-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCSCCC(C)NC(=O)c1cc(S)cs1
InChIInChI=1S/C10H15NOS3/c1-7(3-4-14-2)11-10(12)9-5-8(13)6-15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyCUWYKIXRCVPFNK-UHFFFAOYSA-N
MW261.44 g/mol
LogP2.91
Rot. Bonds5

About N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide

N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107035311) has the molecular formula C10H15NOS3 and a molecular weight of 261.44 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107035311
Molecular FormulaC10H15NOS3
Molecular Weight261.44 g/mol
Exact Mass261.03
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCSCCC(C)NC(=O)c1cc(S)cs1
InChIInChI=1S/C10H15NOS3/c1-7(3-4-14-2)11-10(12)9-5-8(13)6-15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyCUWYKIXRCVPFNK-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
CID 107025092
N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107032032
N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022853
5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid
CID 115730420
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107025304
2-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740091
3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 114011389
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107025593
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide (CID 107035311) is N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide is CSCCC(C)NC(=O)c1cc(S)cs1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is CUWYKIXRCVPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS3/c1-7(3-4-14-2)11-10(12)9-5-8(13)6-15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide?
N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 261.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107035311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).