2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one

C14H23NO3S — CID 79545751

IUPAC2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1S(=O)(=O)CC1CC1
InChIInChI=1S/C14H23NO3S/c16-14-6-3-4-12(14)13-5-1-2-9-15(13)19(17,18)10-11-7-8-11/h11-13H,1-10H2
InChIKeyDHPQEDPROJQRLU-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.95
Rot. Bonds4

About 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79545751) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79545751
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1S(=O)(=O)CC1CC1
InChIInChI=1S/C14H23NO3S/c16-14-6-3-4-12(14)13-5-1-2-9-15(13)19(17,18)10-11-7-8-11/h11-13H,1-10H2
InChIKeyDHPQEDPROJQRLU-UHFFFAOYSA-N
XLogP1.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one (CID 79545751) is 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1S(=O)(=O)CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is DHPQEDPROJQRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c16-14-6-3-4-12(14)13-5-1-2-9-15(13)19(17,18)10-11-7-8-11/h11-13H,1-10H2.
What are the key properties of 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 285.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79545751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).