N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide

C10H17NO3S2 — CID 103916531

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H17NO3S2/c1-8(2)7-16(13,14)11-5-10(12)9-3-4-15-6-9/h3-4,6,8,10-12H,5,7H2,1-2H3
InChIKeyQPBDNNLFCOIMFF-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.36
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide (PubChem CID 103916531) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
PubChem CID103916531
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H17NO3S2/c1-8(2)7-16(13,14)11-5-10(12)9-3-4-15-6-9/h3-4,6,8,10-12H,5,7H2,1-2H3
InChIKeyQPBDNNLFCOIMFF-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
CID 103916548
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 16933162
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropane-1-sulfonamide
CID 90613450
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 75477657
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide (CID 103916531) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide?
The InChIKey is QPBDNNLFCOIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-8(2)7-16(13,14)11-5-10(12)9-3-4-15-6-9/h3-4,6,8,10-12H,5,7H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide has a molecular weight of 263.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 103916531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).