1-methylsulfonyl-3-prop-1-en-2-ylpiperidine

C9H17NO2S — CID 145118494

IUPAC1-methylsulfonyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H17NO2S/c1-8(2)9-5-4-6-10(7-9)13(3,11)12/h9H,1,4-7H2,2-3H3
InChIKeyZUWNQHAKZHXQCY-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.23
Rot. Bonds2

About 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine

1-methylsulfonyl-3-prop-1-en-2-ylpiperidine (PubChem CID 145118494) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-prop-1-en-2-ylpiperidine
PubChem CID145118494
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-methylsulfonyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H17NO2S/c1-8(2)9-5-4-6-10(7-9)13(3,11)12/h9H,1,4-7H2,2-3H3
InChIKeyZUWNQHAKZHXQCY-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 45372000
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207
(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 7030681
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 35522626

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine?
The IUPAC name of 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine (CID 145118494) is 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine?
The canonical SMILES for 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine is C=C(C)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine?
The InChIKey is ZUWNQHAKZHXQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)9-5-4-6-10(7-9)13(3,11)12/h9H,1,4-7H2,2-3H3.
What are the key properties of 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine?
1-methylsulfonyl-3-prop-1-en-2-ylpiperidine has a molecular weight of 203.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 145118494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).