N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide

C10H21NO4S — CID 115363119

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

About N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 115363119) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID115363119
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(C)(CO)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H21NO4S/c1-10(2,8-12)7-11-16(13,14)6-9-4-3-5-15-9/h9,11-12H,3-8H2,1-2H3
InChIKeyGKTBOXSTCMCUCD-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 66169492
N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64556226
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide (CID 115363119) is N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide is CC(C)(CO)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is GKTBOXSTCMCUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-10(2,8-12)7-11-16(13,14)6-9-4-3-5-15-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 115363119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).