1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine

C11H22N2O3S — CID 43628734

IUPAC1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)13-6-2-10(3-7-13)12-11-4-8-16-9-5-11/h10-12H,2-9H2,1H3
InChIKeyUPORUAVSOXOODU-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.18
Rot. Bonds3

About 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine

1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 43628734) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine
PubChem CID43628734
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)13-6-2-10(3-7-13)12-11-4-8-16-9-5-11/h10-12H,2-9H2,1H3
InChIKeyUPORUAVSOXOODU-UHFFFAOYSA-N
XLogP0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-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-(Oxan-4-YL)-N-(piperidin-4-YL)methanesulfonamide
CID 86820423
1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119042780
1-methylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 61491345
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide
CID 62049544
(3S,4S)-3-fluoro-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 176015720
N-[1-(isopropylsulfonyl)-4-piperidyl]-N-methyl-N-tetrahydro-2H-pyran-4-ylamine
CID 91916192
3-Methyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65448066
1-Methylsulfonyl-4-piperidin-4-yloxypiperidine
CID 68022059
N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70653507
1-methylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
CID 70845145
4-(1-Methanidylpiperidin-1-ium-4-yl)oxy-1-methylsulfonylpiperidine
CID 88553542
4-amino-N-(oxan-4-yl)piperidine-1-sulfonamide
CID 134247574

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine (CID 43628734) is 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine is CS(=O)(=O)N1CCC(NC2CCOCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is UPORUAVSOXOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(14,15)13-6-2-10(3-7-13)12-11-4-8-16-9-5-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine?
1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 262.37 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 43628734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).