1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C15H22ClN3O3S — CID 6472096

IUPAC1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C15H22ClN3O3S/c1-2-3-9-23(21,22)19-8-4-5-12(11-19)15(20)18-14-7-6-13(16)10-17-14/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,18,20)
InChIKeyYGPSRGNGJVUVFK-UHFFFAOYSA-N
MW359.88 g/mol
LogP2.52
Rot. Bonds6

About 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 6472096) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID6472096
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C15H22ClN3O3S/c1-2-3-9-23(21,22)19-8-4-5-12(11-19)15(20)18-14-7-6-13(16)10-17-14/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,18,20)
InChIKeyYGPSRGNGJVUVFK-UHFFFAOYSA-N
XLogP2.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 6472096) is 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is CCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is YGPSRGNGJVUVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-2-3-9-23(21,22)19-8-4-5-12(11-19)15(20)18-14-7-6-13(16)10-17-14/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,18,20).
What are the key properties of 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 6472096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).