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

C10H22N2O3S — CID 63246463

IUPACN-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H22N2O3S/c1-3-10(2,8-11)12-16(13,14)7-9-5-4-6-15-9/h9,12H,3-8,11H2,1-2H3
InChIKeyLJVKATDIMVAFKP-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.21
Rot. Bonds6

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

N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246463) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246463
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H22N2O3S/c1-3-10(2,8-11)12-16(13,14)7-9-5-4-6-15-9/h9,12H,3-8,11H2,1-2H3
InChIKeyLJVKATDIMVAFKP-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246463) is N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is CCC(C)(CN)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is LJVKATDIMVAFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-10(2,8-11)12-16(13,14)7-9-5-4-6-15-9/h9,12H,3-8,11H2,1-2H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.21, 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-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).