3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide

C13H27N3O3S — CID 106016509

IUPAC3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCC2CCCOC2)C1
InChIInChI=1S/C13H27N3O3S/c1-14-8-12-4-2-6-16(10-12)20(17,18)15-9-13-5-3-7-19-11-13/h12-15H,2-11H2,1H3
InChIKeyZJWRFSLNGKEDHO-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.18
Rot. Bonds6

About 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide

3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106016509) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
PubChem CID106016509
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCC2CCCOC2)C1
InChIInChI=1S/C13H27N3O3S/c1-14-8-12-4-2-6-16(10-12)20(17,18)15-9-13-5-3-7-19-11-13/h12-15H,2-11H2,1H3
InChIKeyZJWRFSLNGKEDHO-UHFFFAOYSA-N
XLogP0.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
CID 106094390
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106016707
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091913
3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide
CID 106073778

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide (CID 106016509) is 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCC2CCCOC2)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is ZJWRFSLNGKEDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-14-8-12-4-2-6-16(10-12)20(17,18)15-9-13-5-3-7-19-11-13/h12-15H,2-11H2,1H3.
What are the key properties of 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106016509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).