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

C14H32N2O2S — CID 118241770

IUPACN-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide
SMILESCCC(CN(C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C14H32N2O2S/c1-9-13(11-15(6)12(2)3)10-14(4,5)16(7)19(8,17)18/h12-13H,9-11H2,1-8H3
InChIKeyQMZLGFBJYMJHJZ-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.41
Rot. Bonds8

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

N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide (PubChem CID 118241770) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide
PubChem CID118241770
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC NameN-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide
SMILESCCC(CN(C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C14H32N2O2S/c1-9-13(11-15(6)12(2)3)10-14(4,5)16(7)19(8,17)18/h12-13H,9-11H2,1-8H3
InChIKeyQMZLGFBJYMJHJZ-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.41
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-[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
N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide
CID 20780604
2,4-Dimethyl-1-methylsulfonylpiperidine
CID 64585709

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide (CID 118241770) is N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide is CCC(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]hexan-2-yl]methanesulfonamide?
The InChIKey is QMZLGFBJYMJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-9-13(11-15(6)12(2)3)10-14(4,5)16(7)19(8,17)18/h12-13H,9-11H2,1-8H3.
What are the key properties of N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide has a molecular weight of 292.49 g/mol, XLogP of 2.41, 8 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]hexan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).