(3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide

C15H30N2O3S — CID 95118722

IUPAC(3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)NC(C(C)C)C(C)C)C1
InChIInChI=1S/C15H30N2O3S/c1-6-21(19,20)17-9-7-8-13(10-17)15(18)16-14(11(2)3)12(4)5/h11-14H,6-10H2,1-5H3,(H,16,18)/t13-/m0/s1
InChIKeyMLWOYUVMYHIGGD-ZDUSSCGKSA-N
MW318.48 g/mol
LogP1.84
Rot. Bonds6

About (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide

(3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 95118722) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID95118722
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name(3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)NC(C(C)C)C(C)C)C1
InChIInChI=1S/C15H30N2O3S/c1-6-21(19,20)17-9-7-8-13(10-17)15(18)16-14(11(2)3)12(4)5/h11-14H,6-10H2,1-5H3,(H,16,18)/t13-/m0/s1
InChIKeyMLWOYUVMYHIGGD-ZDUSSCGKSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide (CID 95118722) is (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C(C)C)C(C)C)C1.
What is the InChIKey of (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is MLWOYUVMYHIGGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-6-21(19,20)17-9-7-8-13(10-17)15(18)16-14(11(2)3)12(4)5/h11-14H,6-10H2,1-5H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide?
(3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 318.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-dimethylpentan-3-yl)-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95118722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).