1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one

C11H19NO3S — CID 99786176

IUPAC1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C11H19NO3S/c1-2-11(13)10-5-3-4-8-12(10)16(14,15)9-6-7-9/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyWYLMHIDJGYPBKZ-JTQLQIEISA-N
MW245.34 g/mol
LogP1.31
Rot. Bonds4

About 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one

1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one (PubChem CID 99786176) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
PubChem CID99786176
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C11H19NO3S/c1-2-11(13)10-5-3-4-8-12(10)16(14,15)9-6-7-9/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyWYLMHIDJGYPBKZ-JTQLQIEISA-N
XLogP1.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
1-(1-aminopiperidin-2-yl)propan-1-one
CID 57118405
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 12643847
(2S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 66263114
1-[1-(1-methylpiperidin-4-yl)piperidin-2-yl]propan-1-one
CID 147351272
tert-butyl (2S)-1-cyclopropylsulfonylpyrrolidine-2-carboxylate
CID 81004849
methyl (2R)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylate
CID 79836478
(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
CID 130608836

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one?
The IUPAC name of 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one (CID 99786176) is 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one is CCC(=O)[C@@H]1CCCCN1S(=O)(=O)C1CC1.
What is the InChIKey of 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one?
The InChIKey is WYLMHIDJGYPBKZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO3S/c1-2-11(13)10-5-3-4-8-12(10)16(14,15)9-6-7-9/h9-10H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one?
1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one has a molecular weight of 245.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one is sourced from PubChem (CID 99786176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).