N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide

C18H40N2O2S — CID 118241787

IUPACN-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CC(C)C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C18H40N2O2S/c1-10-11-17(14-20(16(4)5)13-15(2)3)12-18(6,7)19(8)23(9,21)22/h15-17H,10-14H2,1-9H3
InChIKeyNVAJLMMVSFAILK-UHFFFAOYSA-N
MW348.60 g/mol
LogP3.83
Rot. Bonds11

About N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide

N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241787) has the molecular formula C18H40N2O2S and a molecular weight of 348.60 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
PubChem CID118241787
Molecular FormulaC18H40N2O2S
Molecular Weight348.60 g/mol
Exact Mass348.28
IUPAC NameN-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CC(C)C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C18H40N2O2S/c1-10-11-17(14-20(16(4)5)13-15(2)3)12-18(6,7)19(8)23(9,21)22/h15-17H,10-14H2,1-9H3
InChIKeyNVAJLMMVSFAILK-UHFFFAOYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide (CID 118241787) is N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide is CCCC(CN(CC(C)C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The InChIKey is NVAJLMMVSFAILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2S/c1-10-11-17(14-20(16(4)5)13-15(2)3)12-18(6,7)19(8)23(9,21)22/h15-17H,10-14H2,1-9H3.
What are the key properties of N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide has a molecular weight of 348.60 g/mol, XLogP of 3.83, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).