2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine

C9H19NO3S — CID 107138212

IUPAC2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
SMILESCC(C)(N)CS(=O)(=O)C1CCCOC1
InChIInChI=1S/C9H19NO3S/c1-9(2,10)7-14(11,12)8-4-3-5-13-6-8/h8H,3-7,10H2,1-2H3
InChIKeyFXGVDQCUELEDDA-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds3

About 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine

2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine (PubChem CID 107138212) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
PubChem CID107138212
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
SMILESCC(C)(N)CS(=O)(=O)C1CCCOC1
InChIInChI=1S/C9H19NO3S/c1-9(2,10)7-14(11,12)8-4-3-5-13-6-8/h8H,3-7,10H2,1-2H3
InChIKeyFXGVDQCUELEDDA-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-3-ylsulfonyl)propan-1-amine
CID 107138207
N-propan-2-yloxane-3-sulfonamide
CID 130684869
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride
CID 120874902
1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine
CID 81189150
2-(oxan-3-ylsulfonyl)butanoic acid
CID 107134773
N-methyloxane-3-sulfonamide
CID 69039393
2,2-dimethylpropylsulfonylcyclobutane
CID 167544021
1-methyl-5-(oxan-3-ylsulfonylmethyl)-3-(trifluoromethyl)pyrazole
CID 146106601
N-[2-(methylamino)propyl]oxane-3-sulfonamide
CID 120877056
4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
CID 107138368
2-(oxan-3-yl)propan-2-amine
CID 82417868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine (CID 107138212) is 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine is CC(C)(N)CS(=O)(=O)C1CCCOC1.
What is the InChIKey of 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine?
The InChIKey is FXGVDQCUELEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,10)7-14(11,12)8-4-3-5-13-6-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine?
2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine is sourced from PubChem (CID 107138212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).