N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide

C9H19NO5S — CID 66169492

IUPACN-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(O)(CO)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO5S/c1-9(12,7-11)6-10-16(13,14)5-8-3-2-4-15-8/h8,10-12H,2-7H2,1H3
InChIKeyOLCAJHHUYJIBTB-UHFFFAOYSA-N
MW253.32 g/mol
LogP-1.17
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 66169492) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID66169492
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(O)(CO)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO5S/c1-9(12,7-11)6-10-16(13,14)5-8-3-2-4-15-8/h8,10-12H,2-7H2,1H3
InChIKeyOLCAJHHUYJIBTB-UHFFFAOYSA-N
XLogP-1.17
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
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-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
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
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (CID 66169492) is N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is CC(O)(CO)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is OLCAJHHUYJIBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-9(12,7-11)6-10-16(13,14)5-8-3-2-4-15-8/h8,10-12H,2-7H2,1H3.
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 253.32 g/mol, XLogP of -1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 66169492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).