N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide

C10H15NO4S — CID 107845769

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H15NO4S/c1-7-2-3-16-8(7)9(15)11-10(4-12,5-13)6-14/h2-3,12-14H,4-6H2,1H3,(H,11,15)
InChIKeyQODFWHFXIXFISH-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.50
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide (PubChem CID 107845769) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
PubChem CID107845769
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H15NO4S/c1-7-2-3-16-8(7)9(15)11-10(4-12,5-13)6-14/h2-3,12-14H,4-6H2,1H3,(H,11,15)
InChIKeyQODFWHFXIXFISH-UHFFFAOYSA-N
XLogP-0.50
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide
CID 114008198
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
CID 103895410
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide
CID 61118833
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 107847318
[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435
tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
CID 71986091
2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 75496204

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide (CID 107845769) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is QODFWHFXIXFISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-7-2-3-16-8(7)9(15)11-10(4-12,5-13)6-14/h2-3,12-14H,4-6H2,1H3,(H,11,15).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 245.30 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 107845769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).