1-methylsulfonyl-4-pentadecan-8-ylpiperazine

C20H42N2O2S — CID 139365186

IUPAC1-methylsulfonyl-4-pentadecan-8-ylpiperazine
SMILESCCCCCCCC(CCCCCCC)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H42N2O2S/c1-4-6-8-10-12-14-20(15-13-11-9-7-5-2)21-16-18-22(19-17-21)25(3,23)24/h20H,4-19H2,1-3H3
InChIKeyFSJMDAZTCLWSTE-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.65
Rot. Bonds14

About 1-methylsulfonyl-4-pentadecan-8-ylpiperazine

1-methylsulfonyl-4-pentadecan-8-ylpiperazine (PubChem CID 139365186) has the molecular formula C20H42N2O2S and a molecular weight of 374.64 g/mol. Its IUPAC name is 1-methylsulfonyl-4-pentadecan-8-ylpiperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-pentadecan-8-ylpiperazine
PubChem CID139365186
Molecular FormulaC20H42N2O2S
Molecular Weight374.64 g/mol
Exact Mass374.30
IUPAC Name1-methylsulfonyl-4-pentadecan-8-ylpiperazine
SMILESCCCCCCCC(CCCCCCC)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H42N2O2S/c1-4-6-8-10-12-14-20(15-13-11-9-7-5-2)21-16-18-22(19-17-21)25(3,23)24/h20H,4-19H2,1-3H3
InChIKeyFSJMDAZTCLWSTE-UHFFFAOYSA-N
XLogP4.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-octadecan-4-ylaziridine
CID 87223215
1-hexyl-4-methylsulfonylpiperazine
CID 91481078
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
4-pentadecan-8-ylthiomorpholine
CID 134320979
1-decan-4-ylpiperidine
CID 142178259
4-hexadecan-8-ylmorpholine
CID 126489366
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
CID 63005080
methyl 4-pentadecan-8-ylpiperazine-1-carboxylate
CID 170347075

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-pentadecan-8-ylpiperazine?
The IUPAC name of 1-methylsulfonyl-4-pentadecan-8-ylpiperazine (CID 139365186) is 1-methylsulfonyl-4-pentadecan-8-ylpiperazine.
What is the SMILES notation for 1-methylsulfonyl-4-pentadecan-8-ylpiperazine?
The canonical SMILES for 1-methylsulfonyl-4-pentadecan-8-ylpiperazine is CCCCCCCC(CCCCCCC)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-pentadecan-8-ylpiperazine?
The InChIKey is FSJMDAZTCLWSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O2S/c1-4-6-8-10-12-14-20(15-13-11-9-7-5-2)21-16-18-22(19-17-21)25(3,23)24/h20H,4-19H2,1-3H3.
What are the key properties of 1-methylsulfonyl-4-pentadecan-8-ylpiperazine?
1-methylsulfonyl-4-pentadecan-8-ylpiperazine has a molecular weight of 374.64 g/mol, XLogP of 4.65, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-pentadecan-8-ylpiperazine is sourced from PubChem (CID 139365186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).