N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide

C12H17NO2S — CID 97246294

IUPACN-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@](C)(CO)C1CC1
InChIInChI=1S/C12H17NO2S/c1-8-5-16-6-10(8)11(15)13-12(2,7-14)9-3-4-9/h5-6,9,14H,3-4,7H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyBQSHRVJVFOEELZ-GFCCVEGCSA-N
MW239.34 g/mol
LogP1.95
Rot. Bonds4

About N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide

N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide (PubChem CID 97246294) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide
PubChem CID97246294
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@](C)(CO)C1CC1
InChIInChI=1S/C12H17NO2S/c1-8-5-16-6-10(8)11(15)13-12(2,7-14)9-3-4-9/h5-6,9,14H,3-4,7H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyBQSHRVJVFOEELZ-GFCCVEGCSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 43163065
N-(1-hydroxy-2-methylpropan-2-yl)thiophene-3-carboxamide
CID 43500984
N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-carboxamide
CID 61247193
N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide
CID 62516901
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide
CID 75385718
N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide
CID 75389858
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-4-methylthiophene-3-carboxamide
CID 75440606
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 75483769
N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide
CID 79692866
N-[3-(hydroxymethyl)pentan-3-yl]-5-iodothiophene-3-carboxamide
CID 79693610
N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 79693960

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide (CID 97246294) is N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)N[C@](C)(CO)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide?
The InChIKey is BQSHRVJVFOEELZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-5-16-6-10(8)11(15)13-12(2,7-14)9-3-4-9/h5-6,9,14H,3-4,7H2,1-2H3,(H,13,15)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide?
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 97246294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).