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

C9H14N2OS — CID 130616224

IUPACN-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C9H14N2OS/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,5,10H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyHULNFPDCCYPUDR-ZETCQYMHSA-N
MW198.29 g/mol
LogP1.13
Rot. Bonds3

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

N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide (PubChem CID 130616224) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
PubChem CID130616224
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C9H14N2OS/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,5,10H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyHULNFPDCCYPUDR-ZETCQYMHSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
CID 114299504
N-[(2R)-1-aminopropan-2-yl]-3-ethylthiophene-2-carboxamide
CID 104872864
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylthiophene-2-carboxamide
CID 76934806
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
CID 80697346
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide
CID 106355164
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide (CID 130616224) is N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is HULNFPDCCYPUDR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,5,10H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 130616224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).