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

C16H36N2O2S — CID 118241717

IUPACN-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide
SMILESCCCN(CC(CC)CC(C)(C)N(C)S(C)(=O)=O)C(C)C
InChIInChI=1S/C16H36N2O2S/c1-9-11-18(14(3)4)13-15(10-2)12-16(5,6)17(7)21(8,19)20/h14-15H,9-13H2,1-8H3
InChIKeyLPRKZTCWHIEOES-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.19
Rot. Bonds10

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

N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide (PubChem CID 118241717) has the molecular formula C16H36N2O2S and a molecular weight of 320.54 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide
PubChem CID118241717
Molecular FormulaC16H36N2O2S
Molecular Weight320.54 g/mol
Exact Mass320.25
IUPAC NameN-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide
SMILESCCCN(CC(CC)CC(C)(C)N(C)S(C)(=O)=O)C(C)C
InChIInChI=1S/C16H36N2O2S/c1-9-11-18(14(3)4)13-15(10-2)12-16(5,6)17(7)21(8,19)20/h14-15H,9-13H2,1-8H3
InChIKeyLPRKZTCWHIEOES-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.19
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-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-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 70811795
N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide
CID 88980527
N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide
CID 88980529

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide (CID 118241717) is N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide is CCCN(CC(CC)CC(C)(C)N(C)S(C)(=O)=O)C(C)C.
What is the InChIKey of N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide?
The InChIKey is LPRKZTCWHIEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2S/c1-9-11-18(14(3)4)13-15(10-2)12-16(5,6)17(7)21(8,19)20/h14-15H,9-13H2,1-8H3.
What are the key properties of N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide has a molecular weight of 320.54 g/mol, XLogP of 3.19, 10 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-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).