1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine

C10H19N3O2S — CID 114411245

IUPAC1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
SMILESCC1=CCN(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C10H19N3O2S/c1-10-2-6-12(7-3-10)16(14,15)13-8-4-11-5-9-13/h2,11H,3-9H2,1H3
InChIKeyCAQFILQRRJGLSF-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.21
Rot. Bonds2

About 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine

1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine (PubChem CID 114411245) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
PubChem CID114411245
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
SMILESCC1=CCN(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C10H19N3O2S/c1-10-2-6-12(7-3-10)16(14,15)13-8-4-11-5-9-13/h2,11H,3-9H2,1H3
InChIKeyCAQFILQRRJGLSF-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-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine
CID 114490303
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
CID 106315277
1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
CID 144802262
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740
1-piperazin-1-ylsulfonyl-1,4-diazepan-5-one
CID 55135469
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol
CID 114411516
1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 71263341
4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
CID 114411279
1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767029
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407765
2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862575
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine?
The IUPAC name of 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine (CID 114411245) is 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine.
What is the SMILES notation for 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine?
The canonical SMILES for 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine is CC1=CCN(S(=O)(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine?
The InChIKey is CAQFILQRRJGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10-2-6-12(7-3-10)16(14,15)13-8-4-11-5-9-13/h2,11H,3-9H2,1H3.
What are the key properties of 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine?
1-[(4-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-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine is sourced from PubChem (CID 114411245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).