(3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide

C15H26N2O4S — CID 95148877

IUPAC(3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H26N2O4S/c1-11-6-7-12(15(16)19)10-17(11)14(18)8-9-22(20,21)13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H2,16,19)/t11-,12+/m1/s1
InChIKeyMFXWIISFXWQZIF-NEPJUHHUSA-N
MW330.45 g/mol
LogP0.85
Rot. Bonds5

About (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide

(3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95148877) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide
PubChem CID95148877
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name(3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H26N2O4S/c1-11-6-7-12(15(16)19)10-17(11)14(18)8-9-22(20,21)13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H2,16,19)/t11-,12+/m1/s1
InChIKeyMFXWIISFXWQZIF-NEPJUHHUSA-N
XLogP0.85
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide (CID 95148877) is (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is MFXWIISFXWQZIF-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-11-6-7-12(15(16)19)10-17(11)14(18)8-9-22(20,21)13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H2,16,19)/t11-,12+/m1/s1.
What are the key properties of (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95148877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).