N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine

C17H36N2O2S — CID 146436756

IUPACN-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine
SMILESCCCCCCC(C)(CCCCC)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C17H36N2O2S/c1-5-7-9-11-13-17(3,12-10-8-6-2)18-16-14-19(15-16)22(4,20)21/h16,18H,5-15H2,1-4H3
InChIKeyLDTXGAQZAOMHTA-UHFFFAOYSA-N
MW332.55 g/mol
LogP3.53
Rot. Bonds12

About N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine

N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine (PubChem CID 146436756) has the molecular formula C17H36N2O2S and a molecular weight of 332.55 g/mol. Its IUPAC name is N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine.

Molecular Properties

Compound NameN-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine
PubChem CID146436756
Molecular FormulaC17H36N2O2S
Molecular Weight332.55 g/mol
Exact Mass332.25
IUPAC NameN-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine
SMILESCCCCCCC(C)(CCCCC)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C17H36N2O2S/c1-5-7-9-11-13-17(3,12-10-8-6-2)18-16-14-19(15-16)22(4,20)21/h16,18H,5-15H2,1-4H3
InChIKeyLDTXGAQZAOMHTA-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
CID 134420427
N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
N-(4-methyldecan-4-yl)cyclohexanamine
CID 139320113
1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine
CID 129254171
8-methylpentadecan-8-ylhydrazine
CID 130446175
6-methyltridecan-6-ylhydrazine
CID 139378233
1-methylsulfonyl-N-propan-2-ylazetidin-3-amine
CID 130416289
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 139315711
N-ethyl-7-methyltetradecan-7-amine
CID 593697

Frequently Asked Questions

What is the IUPAC name of N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine?
The IUPAC name of N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine (CID 146436756) is N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine.
What is the SMILES notation for N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine?
The canonical SMILES for N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine is CCCCCCC(C)(CCCCC)NC1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine?
The InChIKey is LDTXGAQZAOMHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2S/c1-5-7-9-11-13-17(3,12-10-8-6-2)18-16-14-19(15-16)22(4,20)21/h16,18H,5-15H2,1-4H3.
What are the key properties of N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine?
N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine has a molecular weight of 332.55 g/mol, XLogP of 3.53, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine is sourced from PubChem (CID 146436756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).