1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine

C10H19N3O2S — CID 106315277

IUPAC1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
SMILESCC1=CCCN(S(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C10H19N3O2S/c1-10-3-2-6-13(9-10)16(14,15)12-7-4-11-5-8-12/h3,11H,2,4-9H2,1H3
InChIKeyKPIUGJXXTRFCPV-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.21
Rot. Bonds2

About 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine

1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine (PubChem CID 106315277) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
PubChem CID106315277
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
SMILESCC1=CCCN(S(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C10H19N3O2S/c1-10-3-2-6-13(9-10)16(14,15)12-7-4-11-5-8-12/h3,11H,2,4-9H2,1H3
InChIKeyKPIUGJXXTRFCPV-UHFFFAOYSA-N
XLogP-0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
CID 114411245
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
CID 106317129
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine
CID 106317240
N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine
CID 106315322
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 106317204
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoic acid
CID 106313430
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 106315307
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
CID 43842038
1-piperazin-1-ylsulfonyl-1,4-diazepan-5-one
CID 55135469
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925
1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 28746723

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine?
The IUPAC name of 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine (CID 106315277) is 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine.
What is the SMILES notation for 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine?
The canonical SMILES for 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine is CC1=CCCN(S(=O)(=O)N2CCNCC2)C1.
What is the InChIKey of 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine?
The InChIKey is KPIUGJXXTRFCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10-3-2-6-13(9-10)16(14,15)12-7-4-11-5-8-12/h3,11H,2,4-9H2,1H3.
What are the key properties of 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine?
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine has a molecular weight of 245.35 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine is sourced from PubChem (CID 106315277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).