N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride

C9H21ClN2O3S — CID 120874902

IUPACN-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)C1CCCOC1.Cl
InChIInChI=1S/C9H20N2O3S.ClH/c1-9(2,7-10)11-15(12,13)8-4-3-5-14-6-8;/h8,11H,3-7,10H2,1-2H3;1H
InChIKeyGWECPZKHAHTUKN-UHFFFAOYSA-N
MW272.80 g/mol
LogP0.24
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride (PubChem CID 120874902) has the molecular formula C9H21ClN2O3S and a molecular weight of 272.80 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride
PubChem CID120874902
Molecular FormulaC9H21ClN2O3S
Molecular Weight272.80 g/mol
Exact Mass272.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)C1CCCOC1.Cl
InChIInChI=1S/C9H20N2O3S.ClH/c1-9(2,7-10)11-15(12,13)8-4-3-5-14-6-8;/h8,11H,3-7,10H2,1-2H3;1H
InChIKeyGWECPZKHAHTUKN-UHFFFAOYSA-N
XLogP0.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyloxane-3-sulfonamide
CID 69039393
N-propan-2-yloxane-3-sulfonamide
CID 130684869
2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
CID 107138212
2-(oxan-3-ylsulfonyl)propan-1-amine
CID 107138207
N-[2-(methylamino)propyl]oxane-3-sulfonamide
CID 120877056
N-[(1-aminocycloheptyl)methyl]oxane-3-sulfonamide
CID 120875677
N-(1-amino-2-cyclopropylpropan-2-yl)cyclopentanesulfonamide
CID 115752437
N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120875093
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120877009
(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
[4-(oxan-3-ylsulfonyl)phenyl]methanamine
CID 154464885

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride (CID 120874902) is N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride is CC(C)(CN)NS(=O)(=O)C1CCCOC1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride?
The InChIKey is GWECPZKHAHTUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S.ClH/c1-9(2,7-10)11-15(12,13)8-4-3-5-14-6-8;/h8,11H,3-7,10H2,1-2H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120874902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).