N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide

C12H25NO3S — CID 102867543

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)10-17(15,16)13(8-5-9-14)11-6-4-7-11/h11,14H,4-10H2,1-3H3
InChIKeyJGAJCDZLNIPIMM-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds6

About N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide

N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 102867543) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID102867543
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)10-17(15,16)13(8-5-9-14)11-6-4-7-11/h11,14H,4-10H2,1-3H3
InChIKeyJGAJCDZLNIPIMM-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867644
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 102675688
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
CID 102861380
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide
CID 102862554

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide (CID 102867543) is N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is JGAJCDZLNIPIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,3)10-17(15,16)13(8-5-9-14)11-6-4-7-11/h11,14H,4-10H2,1-3H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 102867543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).