3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide

C13H27N3O2S2 — CID 106073778

IUPAC3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCC2(C)CCCS2)C1
InChIInChI=1S/C13H27N3O2S2/c1-13(6-4-8-19-13)11-15-20(17,18)16-7-3-5-12(10-16)9-14-2/h12,14-15H,3-11H2,1-2H3
InChIKeyPUFSIAUMDTYKMP-UHFFFAOYSA-N
MW321.51 g/mol
LogP1.04
Rot. Bonds6

About 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide

3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106073778) has the molecular formula C13H27N3O2S2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide
PubChem CID106073778
Molecular FormulaC13H27N3O2S2
Molecular Weight321.51 g/mol
Exact Mass321.15
IUPAC Name3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCC2(C)CCCS2)C1
InChIInChI=1S/C13H27N3O2S2/c1-13(6-4-8-19-13)11-15-20(17,18)16-7-3-5-12(10-16)9-14-2/h12,14-15H,3-11H2,1-2H3
InChIKeyPUFSIAUMDTYKMP-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 51.04
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
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
CID 106016509
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
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
CID 106094390
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091913
3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106065622

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide (CID 106073778) is 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCC2(C)CCCS2)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is PUFSIAUMDTYKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S2/c1-13(6-4-8-19-13)11-15-20(17,18)16-7-3-5-12(10-16)9-14-2/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 321.51 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106073778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).