(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine

C11H19N3O2S — CID 164631900

IUPAC(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
SMILESCCn1cncc1S(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C11H19N3O2S/c1-3-13-9-12-7-11(13)17(15,16)14-6-4-5-10(2)8-14/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyVSOUTDVRQHXSAH-JTQLQIEISA-N
MW257.36 g/mol
LogP1.32
Rot. Bonds3

About (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine

(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine (PubChem CID 164631900) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
PubChem CID164631900
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
SMILESCCn1cncc1S(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C11H19N3O2S/c1-3-13-9-12-7-11(13)17(15,16)14-6-4-5-10(2)8-14/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyVSOUTDVRQHXSAH-JTQLQIEISA-N
XLogP1.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine?
The IUPAC name of (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine (CID 164631900) is (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine?
The canonical SMILES for (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine is CCn1cncc1S(=O)(=O)N1CCC[C@H](C)C1.
What is the InChIKey of (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine?
The InChIKey is VSOUTDVRQHXSAH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-13-9-12-7-11(13)17(15,16)14-6-4-5-10(2)8-14/h7,9-10H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine?
(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine has a molecular weight of 257.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 164631900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).