1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide

C10H21NO3S — CID 103931299

IUPAC1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)CC1CC1
InChIInChI=1S/C10H21NO3S/c1-9(2,10(3,4)12)11-15(13,14)7-8-5-6-8/h8,11-12H,5-7H2,1-4H3
InChIKeyNELAOMKGEKLAAD-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.87
Rot. Bonds5

About 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide

1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide (PubChem CID 103931299) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide
PubChem CID103931299
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)CC1CC1
InChIInChI=1S/C10H21NO3S/c1-9(2,10(3,4)12)11-15(13,14)7-8-5-6-8/h8,11-12H,5-7H2,1-4H3
InChIKeyNELAOMKGEKLAAD-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)methanesulfonamide
CID 61453787
N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide
CID 163730626
N-(1-chloro-2-methylbutan-2-yl)-1-cyclopropylmethanesulfonamide
CID 65032467
N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide
CID 107868369
1-cyclopropyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 64987940
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbutane-1-sulfonamide
CID 103931309
4-(cyclobutylmethylsulfonylamino)-4-methylpentanoic acid
CID 122068945
3-(2-cyclopropylethylamino)-2,3-dimethylbutan-2-ol
CID 103993555
[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonic acid
CID 175188256
[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 103931305
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide (CID 103931299) is 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide is CC(C)(O)C(C)(C)NS(=O)(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide?
The InChIKey is NELAOMKGEKLAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2,10(3,4)12)11-15(13,14)7-8-5-6-8/h8,11-12H,5-7H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide?
1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 103931299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).