N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide

C10H16N2OS2 — CID 119995733

IUPACN-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)CN
InChIInChI=1S/C10H16N2OS2/c1-7(5-11)6-12-10(13)9-8(14-2)3-4-15-9/h3-4,7H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyORKGNMRRGKNCNF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.79
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide

N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 119995733) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
PubChem CID119995733
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC NameN-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)CN
InChIInChI=1S/C10H16N2OS2/c1-7(5-11)6-12-10(13)9-8(14-2)3-4-15-9/h3-4,7H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyORKGNMRRGKNCNF-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111447422
N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119405175
N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 119429867
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111335113
N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119589249
N-(3-amino-2-methylpropyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119995209
N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119996337
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide (CID 119995733) is N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is ORKGNMRRGKNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-7(5-11)6-12-10(13)9-8(14-2)3-4-15-9/h3-4,7H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 244.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 119995733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).