N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide

C13H26N4O3S — CID 43602810

IUPACN,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC(=O)N2CCNCC2)C1
InChIInChI=1S/C13H26N4O3S/c1-12-4-3-7-17(10-12)21(19,20)15(2)11-13(18)16-8-5-14-6-9-16/h12,14H,3-11H2,1-2H3
InChIKeyBRVBPXJHQHLSQS-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.67
Rot. Bonds4

About N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide

N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide (PubChem CID 43602810) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide
PubChem CID43602810
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC NameN,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC(=O)N2CCNCC2)C1
InChIInChI=1S/C13H26N4O3S/c1-12-4-3-7-17(10-12)21(19,20)15(2)11-13(18)16-8-5-14-6-9-16/h12,14H,3-11H2,1-2H3
InChIKeyBRVBPXJHQHLSQS-UHFFFAOYSA-N
XLogP-0.67
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide;hydrochloride
CID 119967604
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclopentanesulfonamide
CID 115752221
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
N,3-dimethyl-N-pyrrolidin-3-ylpiperidine-1-sulfonamide;hydrochloride
CID 119979100
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide (CID 43602810) is N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)N(C)CC(=O)N2CCNCC2)C1.
What is the InChIKey of N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide?
The InChIKey is BRVBPXJHQHLSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-12-4-3-7-17(10-12)21(19,20)15(2)11-13(18)16-8-5-14-6-9-16/h12,14H,3-11H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide?
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 43602810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).