N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide

C12H20N2OS — CID 80697346

IUPACN-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1sccc1C
InChIInChI=1S/C12H20N2OS/c1-3-4-5-10(8-13)14-12(15)11-9(2)6-7-16-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)
InChIKeyNKTSIOZMVBIMTD-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.30
Rot. Bonds6

About N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide

N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 80697346) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID80697346
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1sccc1C
InChIInChI=1S/C12H20N2OS/c1-3-4-5-10(8-13)14-12(15)11-9(2)6-7-16-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)
InChIKeyNKTSIOZMVBIMTD-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminohexan-2-yl)-3-methylthiophene-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

(2S)-2-[(3-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031782
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119668151
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119667175
N-(1-aminobutan-2-yl)-3-bromothiophene-2-carboxamide
CID 65193512
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide (CID 80697346) is N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide is CCCCC(CN)NC(=O)c1sccc1C.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is NKTSIOZMVBIMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-4-5-10(8-13)14-12(15)11-9(2)6-7-16-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide?
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 80697346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).