N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide

C14H21NO3S — CID 102847511

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N(CCCO)C1CCC1
InChIInChI=1S/C14H21NO3S/c16-11-5-10-15(14-8-4-9-14)19(17,18)12-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
InChIKeyYCOGLFDMWZQGLT-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.75
Rot. Bonds7

About N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide

N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide (PubChem CID 102847511) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
PubChem CID102847511
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N(CCCO)C1CCC1
InChIInChI=1S/C14H21NO3S/c16-11-5-10-15(14-8-4-9-14)19(17,18)12-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
InChIKeyYCOGLFDMWZQGLT-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471
1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide
CID 102847448
N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide
CID 80669300
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-cyclobutyl-N-(2-hydroxyethyl)-1-(4-nitrophenyl)methanesulfonamide
CID 102675871
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
N-[[benzylsulfonyl(cyclopentyl)amino]disulfanyl]-N-cyclopentyl-1-phenylmethanesulfonamide
CID 21436541
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867543
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-1-phenylmethanesulfonamide
CID 90607497

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide (CID 102847511) is N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide?
The InChIKey is YCOGLFDMWZQGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c16-11-5-10-15(14-8-4-9-14)19(17,18)12-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide?
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.75, 7 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)-1-phenylmethanesulfonamide is sourced from PubChem (CID 102847511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).