N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide

C9H19NO3S — CID 102675881

IUPACN-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C9H19NO3S/c1-8(2)14(12,13)10(6-7-11)9-4-3-5-9/h8-9,11H,3-7H2,1-2H3
InChIKeyLDSMOZYRMNOLNO-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds5

About N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide

N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide (PubChem CID 102675881) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
PubChem CID102675881
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C9H19NO3S/c1-8(2)14(12,13)10(6-7-11)9-4-3-5-9/h8-9,11H,3-7H2,1-2H3
InChIKeyLDSMOZYRMNOLNO-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propane-2-sulfonamide
CID 64584958
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
CID 63397229
N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 102675688
N-cyclobutyl-N-(2-hydroxyethyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867644
1-amino-N-cyclobutyl-N-(2-hydroxyethyl)butane-2-sulfonamide
CID 102861394
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
N-cyclopentyl-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593960
2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
CID 61458209
2-[cyclobutyl(dipropylsulfamoyl)amino]ethanol
CID 102675795
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide
CID 102862554

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide (CID 102675881) is N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The InChIKey is LDSMOZYRMNOLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)14(12,13)10(6-7-11)9-4-3-5-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide is sourced from PubChem (CID 102675881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).