N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide

C9H14N2O2S — CID 120508214

IUPACN-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C9H14N2O2S/c1-6(5-10)11-9(12)8-7(13-2)3-4-14-8/h3-4,6H,5,10H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyYXWMZGSLICRTIR-LURJTMIESA-N
MW214.29 g/mol
LogP0.83
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide

N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide (PubChem CID 120508214) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
PubChem CID120508214
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C9H14N2O2S/c1-6(5-10)11-9(12)8-7(13-2)3-4-14-8/h3-4,6H,5,10H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyYXWMZGSLICRTIR-LURJTMIESA-N
XLogP0.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2R)-1-aminopropan-2-yl]-3-ethylthiophene-2-carboxamide
CID 104872864
N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
CID 114390087
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
CID 115647257
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxythiophene-2-carboxamide
CID 106355861
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
CID 98541747
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 102673854

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide (CID 120508214) is N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide?
The InChIKey is YXWMZGSLICRTIR-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(5-10)11-9(12)8-7(13-2)3-4-14-8/h3-4,6H,5,10H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 120508214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).