3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one

C13H26N2O3S — CID 116553484

IUPAC3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
SMILESCC(C)CC(N)C(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O3S/c1-10(2)7-12(14)13(16)8-11-5-4-6-15(9-11)19(3,17)18/h10-12H,4-9,14H2,1-3H3
InChIKeyXBGJDIMDVOQAMN-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.99
Rot. Bonds6

About 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one

3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one (PubChem CID 116553484) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one.

Molecular Properties

Compound Name3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
PubChem CID116553484
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
SMILESCC(C)CC(N)C(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O3S/c1-10(2)7-12(14)13(16)8-11-5-4-6-15(9-11)19(3,17)18/h10-12H,4-9,14H2,1-3H3
InChIKeyXBGJDIMDVOQAMN-UHFFFAOYSA-N
XLogP0.99
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one 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

4,5,5-trimethyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
CID 115784270
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281
4,6,6-trimethyl-1-(1-methylsulfonylpiperidin-3-yl)heptan-2-amine
CID 105010999
1-(butan-2-ylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116556123
methyl 2-amino-4-[(1-methylsulfonylpiperidin-3-yl)methylsulfanyl]butanoate
CID 79611199
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one?
The IUPAC name of 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one (CID 116553484) is 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one.
What is the SMILES notation for 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one?
The canonical SMILES for 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one is CC(C)CC(N)C(=O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one?
The InChIKey is XBGJDIMDVOQAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10(2)7-12(14)13(16)8-11-5-4-6-15(9-11)19(3,17)18/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one?
3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one has a molecular weight of 290.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one is sourced from PubChem (CID 116553484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).