2-(oxan-2-ylmethylsulfonyl)propan-1-amine

C9H19NO3S — CID 81187851

IUPAC2-(oxan-2-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)CC1CCCCO1
InChIInChI=1S/C9H19NO3S/c1-8(6-10)14(11,12)7-9-4-2-3-5-13-9/h8-9H,2-7,10H2,1H3
InChIKeyOQFSZOIEYCWCHR-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds4

About 2-(oxan-2-ylmethylsulfonyl)propan-1-amine

2-(oxan-2-ylmethylsulfonyl)propan-1-amine (PubChem CID 81187851) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxan-2-ylmethylsulfonyl)propan-1-amine
PubChem CID81187851
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-(oxan-2-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)CC1CCCCO1
InChIInChI=1S/C9H19NO3S/c1-8(6-10)14(11,12)7-9-4-2-3-5-13-9/h8-9H,2-7,10H2,1H3
InChIKeyOQFSZOIEYCWCHR-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 2-(oxan-2-ylmethylsulfonyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-(oxan-2-yl)methanesulfonamide
CID 119982374
4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
CID 106497123
N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
CID 106496026
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
CID 119974611
N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
CID 120584818
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
CID 119042774
methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate
CID 106493674

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylsulfonyl)propan-1-amine?
The IUPAC name of 2-(oxan-2-ylmethylsulfonyl)propan-1-amine (CID 81187851) is 2-(oxan-2-ylmethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-(oxan-2-ylmethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-(oxan-2-ylmethylsulfonyl)propan-1-amine is CC(CN)S(=O)(=O)CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethylsulfonyl)propan-1-amine?
The InChIKey is OQFSZOIEYCWCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(6-10)14(11,12)7-9-4-2-3-5-13-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-(oxan-2-ylmethylsulfonyl)propan-1-amine?
2-(oxan-2-ylmethylsulfonyl)propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethylsulfonyl)propan-1-amine is sourced from PubChem (CID 81187851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).