N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

C10H21NO4S — CID 64556226

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H21NO4S/c1-3-10(2,8-12)11-16(13,14)7-9-5-4-6-15-9/h9,11-12H,3-8H2,1-2H3
InChIKeyPMIMWYNCMSICHH-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.25
Rot. Bonds6

About N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 64556226) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID64556226
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H21NO4S/c1-3-10(2,8-12)11-16(13,14)7-9-5-4-6-15-9/h9,11-12H,3-8H2,1-2H3
InChIKeyPMIMWYNCMSICHH-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 66169492
methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate
CID 63247219
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 113284015
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
CID 64555453
2-methyl-2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115927323
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-(1-hydroxy-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361290
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 64555819
(2R)-2-ethyloxolane
CID 641529

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 64556226) is N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is CCC(C)(CO)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is PMIMWYNCMSICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-10(2,8-12)11-16(13,14)7-9-5-4-6-15-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 64556226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).