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

C16H36N2O2S — CID 118241678

IUPACN-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CCC)C(C)C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C16H36N2O2S/c1-8-10-15(13-18(11-9-2)14(3)4)12-16(5,6)17-21(7,19)20/h14-15,17H,8-13H2,1-7H3
InChIKeyQTJGBJYKWVVGSX-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.24
Rot. Bonds11

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

N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241678) has the molecular formula C16H36N2O2S and a molecular weight of 320.54 g/mol. Its IUPAC name is N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide
PubChem CID118241678
Molecular FormulaC16H36N2O2S
Molecular Weight320.54 g/mol
Exact Mass320.25
IUPAC NameN-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CCC)C(C)C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C16H36N2O2S/c1-8-10-15(13-18(11-9-2)14(3)4)12-16(5,6)17-21(7,19)20/h14-15,17H,8-13H2,1-7H3
InChIKeyQTJGBJYKWVVGSX-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[[2,2-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-[(1S)-4-amino-5-butyl-3-heptylcycloheptyl]-N-methylmethanesulfonamide
CID 117943398
N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide
CID 118241680
N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241685
N-[4-[(3-ethyl-2,5,5-trimethylpiperidin-1-yl)methyl]-2-methylhexan-2-yl]methanesulfonamide
CID 118241689
N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241714
N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241717
N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide
CID 118241728

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide (CID 118241678) is N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide is CCCC(CN(CCC)C(C)C)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The InChIKey is QTJGBJYKWVVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2S/c1-8-10-15(13-18(11-9-2)14(3)4)12-16(5,6)17-21(7,19)20/h14-15,17H,8-13H2,1-7H3.
What are the key properties of N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide?
N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide has a molecular weight of 320.54 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).