N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

C11H24N2O3S — CID 113284015

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-9(2)11(3,8-12)13-17(14,15)7-10-5-4-6-16-10/h9-10,13H,4-8,12H2,1-3H3
InChIKeyJXGMVPJCBPBNSD-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 113284015) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID113284015
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-9(2)11(3,8-12)13-17(14,15)7-10-5-4-6-16-10/h9-10,13H,4-8,12H2,1-3H3
InChIKeyJXGMVPJCBPBNSD-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64556226
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 119605686
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 113284015) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is CC(C)C(C)(CN)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is JXGMVPJCBPBNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)11(3,8-12)13-17(14,15)7-10-5-4-6-16-10/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 113284015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).