3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine

C12H24N2O3S — CID 79612932

IUPAC3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine
SMILESCS(=O)(=O)N1CCCC(CC2(N)CCCOC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)14-6-2-4-11(9-14)8-12(13)5-3-7-17-10-12/h11H,2-10,13H2,1H3
InChIKeySXKYMPLSQMWOGO-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.56
Rot. Bonds3

About 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine

3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine (PubChem CID 79612932) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine
PubChem CID79612932
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine
SMILESCS(=O)(=O)N1CCCC(CC2(N)CCCOC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)14-6-2-4-11(9-14)8-12(13)5-3-7-17-10-12/h11H,2-10,13H2,1H3
InChIKeySXKYMPLSQMWOGO-UHFFFAOYSA-N
XLogP0.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-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-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine
CID 103727757
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271
3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 79612123
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
1-(4-methoxyoxan-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116748724
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine?
The IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine (CID 79612932) is 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine?
The canonical SMILES for 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine is CS(=O)(=O)N1CCCC(CC2(N)CCCOC2)C1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine?
The InChIKey is SXKYMPLSQMWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(15,16)14-6-2-4-11(9-14)8-12(13)5-3-7-17-10-12/h11H,2-10,13H2,1H3.
What are the key properties of 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine?
3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine has a molecular weight of 276.40 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine is sourced from PubChem (CID 79612932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).