1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride

C15H24ClN3O3S — CID 120763498

IUPAC1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCO1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H23N3O3S.ClH/c19-22(20,12-14-5-1-2-9-21-14)18-8-7-17-11-15(18)13-4-3-6-16-10-13;/h3-4,6,10,14-15,17H,1-2,5,7-9,11-12H2;1H
InChIKeyXFIIIADPYQRHDV-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.35
Rot. Bonds4

About 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride

1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120763498) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120763498
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCO1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H23N3O3S.ClH/c19-22(20,12-14-5-1-2-9-21-14)18-8-7-17-11-15(18)13-4-3-6-16-10-13;/h3-4,6,10,14-15,17H,1-2,5,7-9,11-12H2;1H
InChIKeyXFIIIADPYQRHDV-UHFFFAOYSA-N
XLogP1.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763847
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
1-butylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763713
1-[(4-bromophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763556
1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
CID 120763880
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
2,5-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylmorpholine
CID 120763667
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride (CID 120763498) is 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride is Cl.O=S(=O)(CC1CCCCO1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is XFIIIADPYQRHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c19-22(20,12-14-5-1-2-9-21-14)18-8-7-17-11-15(18)13-4-3-6-16-10-13;/h3-4,6,10,14-15,17H,1-2,5,7-9,11-12H2;1H.
What are the key properties of 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120763498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).