4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine

C16H21NO4S — CID 121187227

IUPAC4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1OC
InChIInChI=1S/C16H21NO4S/c1-20-15-6-5-14(11-16(15)21-2)22(18,19)17-9-7-13(8-10-17)12-3-4-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyKMMPNVRJNGUBFE-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.58
Rot. Bonds4

About 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine

4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine (PubChem CID 121187227) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
PubChem CID121187227
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1OC
InChIInChI=1S/C16H21NO4S/c1-20-15-6-5-14(11-16(15)21-2)22(18,19)17-9-7-13(8-10-17)12-3-4-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyKMMPNVRJNGUBFE-UHFFFAOYSA-N
XLogP2.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoacetate
CID 2051856
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine (CID 121187227) is 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1OC.
What is the InChIKey of 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine?
The InChIKey is KMMPNVRJNGUBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-20-15-6-5-14(11-16(15)21-2)22(18,19)17-9-7-13(8-10-17)12-3-4-12/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine?
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine has a molecular weight of 323.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 121187227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).