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

C15H34N2O2S — CID 118241789

IUPACN-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H34N2O2S/c1-9-10-14(12-16(6)13(2)3)11-15(4,5)17(7)20(8,18)19/h13-14H,9-12H2,1-8H3
InChIKeyFVLOWXDRPIKNFV-UHFFFAOYSA-N
MW306.52 g/mol
LogP2.80
Rot. Bonds9

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

N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241789) has the molecular formula C15H34N2O2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
PubChem CID118241789
Molecular FormulaC15H34N2O2S
Molecular Weight306.52 g/mol
Exact Mass306.23
IUPAC NameN-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H34N2O2S/c1-9-10-14(12-16(6)13(2)3)11-15(4,5)17(7)20(8,18)19/h13-14H,9-12H2,1-8H3
InChIKeyFVLOWXDRPIKNFV-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methanesulfonamide, N,N-bis(2-ethylhexyl)-
CID 533127
N-[5-[butan-2-yl(2-fluoroethyl)amino]-2,4-dimethylpentan-2-yl]-N-methylmethanesulfonamide
CID 88991751
N-methyl-N-[2-methyl-4-[[propan-2-yl(trifluoromethyl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241721
N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241725
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide
CID 118241731
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241793
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241796
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241826
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241834
N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241903
N-[3,5-dimethyl-6-[propan-2-yl(trifluoromethyl)amino]hexan-3-yl]-N-methylmethanesulfonamide
CID 118241947
Methylsulphonamide, N-ethyl-N-2-ethylhexyl-
CID 91715482

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide (CID 118241789) is N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide is CCCC(CN(C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The InChIKey is FVLOWXDRPIKNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2S/c1-9-10-14(12-16(6)13(2)3)11-15(4,5)17(7)20(8,18)19/h13-14H,9-12H2,1-8H3.
What are the key properties of N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide has a molecular weight of 306.52 g/mol, XLogP of 2.80, 9 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-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).