1-(7-methyltetradecan-7-ylsulfonyl)piperidine

C20H41NO2S — CID 146587233

IUPAC1-(7-methyltetradecan-7-ylsulfonyl)piperidine
SMILESCCCCCCCC(C)(CCCCCC)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H41NO2S/c1-4-6-8-10-13-17-20(3,16-12-9-7-5-2)24(22,23)21-18-14-11-15-19-21/h4-19H2,1-3H3
InChIKeyVNPWNYSMEXPASB-UHFFFAOYSA-N
MW359.62 g/mol
LogP5.89
Rot. Bonds13

About 1-(7-methyltetradecan-7-ylsulfonyl)piperidine

1-(7-methyltetradecan-7-ylsulfonyl)piperidine (PubChem CID 146587233) has the molecular formula C20H41NO2S and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(7-methyltetradecan-7-ylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(7-methyltetradecan-7-ylsulfonyl)piperidine
PubChem CID146587233
Molecular FormulaC20H41NO2S
Molecular Weight359.62 g/mol
Exact Mass359.29
IUPAC Name1-(7-methyltetradecan-7-ylsulfonyl)piperidine
SMILESCCCCCCCC(C)(CCCCCC)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H41NO2S/c1-4-6-8-10-13-17-20(3,16-12-9-7-5-2)24(22,23)21-18-14-11-15-19-21/h4-19H2,1-3H3
InChIKeyVNPWNYSMEXPASB-UHFFFAOYSA-N
XLogP5.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.62
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 126694881
3-methyl-3-(3-methylicosan-3-ylsulfonyl)icosane
CID 169224285
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
3-methyl-3-piperidin-1-yldecanoic acid
CID 64527597
2-(azepan-1-yl)-2-methylnonanenitrile
CID 63407747
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one
CID 129054004
1-decylpiperidine;methanesulfonic acid
CID 175874627
4-(2-methylpentan-2-ylsulfonyl)morpholine
CID 138601822
3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
CID 134420427
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltetradecan-7-ylsulfonyl)piperidine?
The IUPAC name of 1-(7-methyltetradecan-7-ylsulfonyl)piperidine (CID 146587233) is 1-(7-methyltetradecan-7-ylsulfonyl)piperidine.
What is the SMILES notation for 1-(7-methyltetradecan-7-ylsulfonyl)piperidine?
The canonical SMILES for 1-(7-methyltetradecan-7-ylsulfonyl)piperidine is CCCCCCCC(C)(CCCCCC)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(7-methyltetradecan-7-ylsulfonyl)piperidine?
The InChIKey is VNPWNYSMEXPASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2S/c1-4-6-8-10-13-17-20(3,16-12-9-7-5-2)24(22,23)21-18-14-11-15-19-21/h4-19H2,1-3H3.
What are the key properties of 1-(7-methyltetradecan-7-ylsulfonyl)piperidine?
1-(7-methyltetradecan-7-ylsulfonyl)piperidine has a molecular weight of 359.62 g/mol, XLogP of 5.89, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltetradecan-7-ylsulfonyl)piperidine is sourced from PubChem (CID 146587233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).