4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine

C16H29NOS — CID 134225038

IUPAC4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine
SMILESCCC1(CC)CCN(S(=O)C2C=CC(C)CC2)CC1
InChIInChI=1S/C16H29NOS/c1-4-16(5-2)10-12-17(13-11-16)19(18)15-8-6-14(3)7-9-15/h6,8,14-15H,4-5,7,9-13H2,1-3H3
InChIKeyQZHHBRUUZYZPMI-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.91
Rot. Bonds4

About 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine

4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine (PubChem CID 134225038) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine.

Molecular Properties

Compound Name4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine
PubChem CID134225038
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine
SMILESCCC1(CC)CCN(S(=O)C2C=CC(C)CC2)CC1
InChIInChI=1S/C16H29NOS/c1-4-16(5-2)10-12-17(13-11-16)19(18)15-8-6-14(3)7-9-15/h6,8,14-15H,4-5,7,9-13H2,1-3H3
InChIKeyQZHHBRUUZYZPMI-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine?
The IUPAC name of 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine (CID 134225038) is 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine.
What is the SMILES notation for 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine?
The canonical SMILES for 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine is CCC1(CC)CCN(S(=O)C2C=CC(C)CC2)CC1.
What is the InChIKey of 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine?
The InChIKey is QZHHBRUUZYZPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-4-16(5-2)10-12-17(13-11-16)19(18)15-8-6-14(3)7-9-15/h6,8,14-15H,4-5,7,9-13H2,1-3H3.
What are the key properties of 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine?
4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine has a molecular weight of 283.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-(4-methylcyclohex-2-en-1-yl)sulfinylpiperidine is sourced from PubChem (CID 134225038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).