N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide

C13H27N3O2S — CID 79716652

IUPACN,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC2CCNCC2)C1
InChIInChI=1S/C13H27N3O2S/c1-12-4-3-9-16(10-12)19(17,18)15(2)11-13-5-7-14-8-6-13/h12-14H,3-11H2,1-2H3
InChIKeyRBROKFTZTUBPJY-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.89
Rot. Bonds4

About N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide

N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 79716652) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID79716652
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC2CCNCC2)C1
InChIInChI=1S/C13H27N3O2S/c1-12-4-3-9-16(10-12)19(17,18)15(2)11-13-5-7-14-8-6-13/h12-14H,3-11H2,1-2H3
InChIKeyRBROKFTZTUBPJY-UHFFFAOYSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716571
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide
CID 43602810
N-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 119961510
N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide
CID 119981830
N,3-dimethyl-N-pyrrolidin-3-ylpiperidine-1-sulfonamide;hydrochloride
CID 119979100
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929
N-methyl-N-(oxan-4-ylmethyl)piperazine-1-sulfonamide
CID 63713108
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide (CID 79716652) is N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)N(C)CC2CCNCC2)C1.
What is the InChIKey of N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is RBROKFTZTUBPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12-4-3-9-16(10-12)19(17,18)15(2)11-13-5-7-14-8-6-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide?
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 79716652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).