N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide

C18H40N2O2S — CID 130426482

IUPACN,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide
SMILESCCCCCCC(C)(CCCCCC)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C18H40N2O2S/c1-6-8-10-12-14-18(3,15-13-11-9-7-2)19-16-17-23(21,22)20(4)5/h19H,6-17H2,1-5H3
InChIKeyXRRPTYPSSPIWFF-UHFFFAOYSA-N
MW348.60 g/mol
LogP4.17
Rot. Bonds15

About N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide

N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide (PubChem CID 130426482) has the molecular formula C18H40N2O2S and a molecular weight of 348.60 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide
PubChem CID130426482
Molecular FormulaC18H40N2O2S
Molecular Weight348.60 g/mol
Exact Mass348.28
IUPAC NameN,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide
SMILESCCCCCCC(C)(CCCCCC)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C18H40N2O2S/c1-6-8-10-12-14-18(3,15-13-11-9-7-2)19-16-17-23(21,22)20(4)5/h19H,6-17H2,1-5H3
InChIKeyXRRPTYPSSPIWFF-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 54.17
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

N,N-dimethylheptane-1-sulfonamide
CID 118391256
N-heptyl-5-methylnonan-5-amine
CID 126560493
N-ethyl-7-methyltetradecan-7-amine
CID 593697
3-(2-methyltridecan-2-ylamino)propane-1-sulfonic acid
CID 18699565
N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine
CID 146436404
7-butyl-7-methyl-1-(6-methyltridecan-6-ylamino)undecan-6-one
CID 139454044
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
3-methyl-3-(propylamino)octanoic acid
CID 80558615
6-methyltridecan-6-ylhydrazine
CID 139378233
2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane
CID 25021309
8-methylpentadecan-8-ylhydrazine
CID 130446175
2-hydroxyundecane-2-sulfonic acid
CID 24797633

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide (CID 130426482) is N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide is CCCCCCC(C)(CCCCCC)NCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide?
The InChIKey is XRRPTYPSSPIWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2S/c1-6-8-10-12-14-18(3,15-13-11-9-7-2)19-16-17-23(21,22)20(4)5/h19H,6-17H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide?
N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide has a molecular weight of 348.60 g/mol, XLogP of 4.17, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide is sourced from PubChem (CID 130426482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).