3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide

C11H19NO3S2 — CID 114135134

IUPAC3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)CCCO)s1
InChIInChI=1S/C11H19NO3S2/c1-9(8-11-5-4-10(2)16-11)12-17(14,15)7-3-6-13/h4-5,9,12-13H,3,6-8H2,1-2H3
InChIKeySCGGNAAKOABIIX-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.29
Rot. Bonds7

About 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide

3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide (PubChem CID 114135134) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
PubChem CID114135134
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)CCCO)s1
InChIInChI=1S/C11H19NO3S2/c1-9(8-11-5-4-10(2)16-11)12-17(14,15)7-3-6-13/h4-5,9,12-13H,3,6-8H2,1-2H3
InChIKeySCGGNAAKOABIIX-UHFFFAOYSA-N
XLogP1.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide
CID 106069012
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
CID 81258877
1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723805
5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 79995810
3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
CID 64982777
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
methyl 2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]butanoate
CID 113292625
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
CID 103390068
N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
CID 78997668

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide (CID 114135134) is 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide is Cc1ccc(CC(C)NS(=O)(=O)CCCO)s1.
What is the InChIKey of 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide?
The InChIKey is SCGGNAAKOABIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-9(8-11-5-4-10(2)16-11)12-17(14,15)7-3-6-13/h4-5,9,12-13H,3,6-8H2,1-2H3.
What are the key properties of 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide?
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 114135134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).