1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide

C15H28N2O3S — CID 6472729

IUPAC1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-2-3-12-21(19,20)17-10-8-13(9-11-17)15(18)16-14-6-4-5-7-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyBTZWONUXIMFDBN-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.89
Rot. Bonds6

About 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide

1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 6472729) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide
PubChem CID6472729
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-2-3-12-21(19,20)17-10-8-13(9-11-17)15(18)16-14-6-4-5-7-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyBTZWONUXIMFDBN-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide (CID 6472729) is 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is BTZWONUXIMFDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-2-3-12-21(19,20)17-10-8-13(9-11-17)15(18)16-14-6-4-5-7-14/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide?
1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 6472729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).