N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide

C12H19NO2S2 — CID 111447422

IUPACN-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)CC(C)O
InChIInChI=1S/C12H19NO2S2/c1-8(6-9(2)14)7-13-12(15)11-10(16-3)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyYFTKKAYEQQLFJM-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.61
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide

N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 111447422) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
PubChem CID111447422
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)CC(C)O
InChIInChI=1S/C12H19NO2S2/c1-8(6-9(2)14)7-13-12(15)11-10(16-3)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyYFTKKAYEQQLFJM-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-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-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119995733
N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 119429867
N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119405175
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111335113
3-methylsulfanyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 56783004
N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119619363
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 66107939
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063453
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide (CID 111447422) is N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)NCC(C)CC(C)O.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is YFTKKAYEQQLFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-8(6-9(2)14)7-13-12(15)11-10(16-3)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide?
N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 111447422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).