1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine

C15H22ClN3O2S — CID 146149427

IUPAC1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine
SMILESCC(CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)C1CC1
InChIInChI=1S/C15H22ClN3O2S/c1-12(13-2-3-13)11-22(20,21)19-8-6-18(7-9-19)15-5-4-14(16)10-17-15/h4-5,10,12-13H,2-3,6-9,11H2,1H3
InChIKeyGSJLXAGKCWBFFX-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.23
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine

1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine (PubChem CID 146149427) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine
PubChem CID146149427
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine
SMILESCC(CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)C1CC1
InChIInChI=1S/C15H22ClN3O2S/c1-12(13-2-3-13)11-22(20,21)19-8-6-18(7-9-19)15-5-4-14(16)10-17-15/h4-5,10,12-13H,2-3,6-9,11H2,1H3
InChIKeyGSJLXAGKCWBFFX-UHFFFAOYSA-N
XLogP2.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine (CID 146149427) is 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine is CC(CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)C1CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine?
The InChIKey is GSJLXAGKCWBFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2S/c1-12(13-2-3-13)11-22(20,21)19-8-6-18(7-9-19)15-5-4-14(16)10-17-15/h4-5,10,12-13H,2-3,6-9,11H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine?
1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine has a molecular weight of 343.88 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine is sourced from PubChem (CID 146149427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).