3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine

C17H35NO2S — CID 134420427

IUPAC3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
SMILESCCCCCCCC(C)(CCCC)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C17H35NO2S/c1-5-7-9-10-11-13-17(3,12-8-6-2)16-14-18(15-16)21(4,19)20/h16H,5-15H2,1-4H3
InChIKeyCDWDTUKBEAQHBY-UHFFFAOYSA-N
MW317.54 g/mol
LogP4.43
Rot. Bonds11

About 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine

3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine (PubChem CID 134420427) has the molecular formula C17H35NO2S and a molecular weight of 317.54 g/mol. Its IUPAC name is 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine.

Molecular Properties

Compound Name3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
PubChem CID134420427
Molecular FormulaC17H35NO2S
Molecular Weight317.54 g/mol
Exact Mass317.24
IUPAC Name3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
SMILESCCCCCCCC(C)(CCCC)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C17H35NO2S/c1-5-7-9-10-11-13-17(3,12-8-6-2)16-14-18(15-16)21(4,19)20/h16H,5-15H2,1-4H3
InChIKeyCDWDTUKBEAQHBY-UHFFFAOYSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 54.43
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

N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine
CID 146436756
3-(5-methyldodecan-5-yl)oxetane
CID 130337165
4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
3-(5-methyldodecan-5-yl)piperidine
CID 170226915
1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one
CID 134225694
1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one
CID 155158511
3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
1-methyl-3-(5-methylnonan-5-yl)pyrrolidine
CID 170333732
(1-chloro-2-methylundecan-2-yl)cyclopropane
CID 83150328
1-(7-methyltetradecan-7-ylsulfonyl)piperidine
CID 146587233
1-methylsulfonyl-4-pentadecan-8-ylpiperazine
CID 139365186
1-hexyl-4-methylsulfonylpiperazine
CID 91481078

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine?
The IUPAC name of 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine (CID 134420427) is 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine.
What is the SMILES notation for 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine?
The canonical SMILES for 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine is CCCCCCCC(C)(CCCC)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine?
The InChIKey is CDWDTUKBEAQHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2S/c1-5-7-9-10-11-13-17(3,12-8-6-2)16-14-18(15-16)21(4,19)20/h16H,5-15H2,1-4H3.
What are the key properties of 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine?
3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine has a molecular weight of 317.54 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine is sourced from PubChem (CID 134420427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).