3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

C14H25NO3S — CID 94152274

IUPAC3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C14H25NO3S/c1-12-5-4-9-15(11-12)14(16)8-10-19(17,18)13-6-2-3-7-13/h12-13H,2-11H2,1H3/t12-/m0/s1
InChIKeyVICSREBMCTYRTK-LBPRGKRZSA-N
MW287.42 g/mol
LogP1.99
Rot. Bonds4

About 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 94152274) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID94152274
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C14H25NO3S/c1-12-5-4-9-15(11-12)14(16)8-10-19(17,18)13-6-2-3-7-13/h12-13H,2-11H2,1H3/t12-/m0/s1
InChIKeyVICSREBMCTYRTK-LBPRGKRZSA-N
XLogP1.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (CID 94152274) is 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is C[C@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1.
What is the InChIKey of 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is VICSREBMCTYRTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-12-5-4-9-15(11-12)14(16)8-10-19(17,18)13-6-2-3-7-13/h12-13H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 287.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 94152274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).