N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide

C11H17NOS2 — CID 107025092

IUPACN-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCCC(NC(=O)c1cc(S)cs1)C(C)C
InChIInChI=1S/C11H17NOS2/c1-4-9(7(2)3)12-11(13)10-5-8(14)6-15-10/h5-7,9,14H,4H2,1-3H3,(H,12,13)
InChIKeyVVUQLHGNPHJBST-UHFFFAOYSA-N
MW243.40 g/mol
LogP3.20
Rot. Bonds4

About N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide

N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107025092) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107025092
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC NameN-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCCC(NC(=O)c1cc(S)cs1)C(C)C
InChIInChI=1S/C11H17NOS2/c1-4-9(7(2)3)12-11(13)10-5-8(14)6-15-10/h5-7,9,14H,4H2,1-3H3,(H,12,13)
InChIKeyVVUQLHGNPHJBST-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methylpentan-3-yl)-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-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107032032
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107025304
N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107035311
N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022853
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
butan-2-yl 4-sulfanylthiophene-2-carboxylate
CID 107018189
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
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
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide (CID 107025092) is N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide is CCC(NC(=O)c1cc(S)cs1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is VVUQLHGNPHJBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-4-9(7(2)3)12-11(13)10-5-8(14)6-15-10/h5-7,9,14H,4H2,1-3H3,(H,12,13).
What are the key properties of N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide?
N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 243.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107025092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).