N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide

C16H36N2O2S — CID 118241685

IUPACN-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(C(C)C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C16H36N2O2S/c1-10-15(12-18(13(2)3)14(4)5)11-16(6,7)17(8)21(9,19)20/h13-15H,10-12H2,1-9H3
InChIKeyCSHQNEZONNNYDP-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.19
Rot. Bonds9

About N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide

N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (PubChem CID 118241685) has the molecular formula C16H36N2O2S and a molecular weight of 320.54 g/mol. Its IUPAC name is N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
PubChem CID118241685
Molecular FormulaC16H36N2O2S
Molecular Weight320.54 g/mol
Exact Mass320.25
IUPAC NameN-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(C(C)C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C16H36N2O2S/c1-10-15(12-18(13(2)3)14(4)5)11-16(6,7)17(8)21(9,19)20/h13-15H,10-12H2,1-9H3
InChIKeyCSHQNEZONNNYDP-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (CID 118241685) is N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is CCC(CN(C(C)C)C(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is CSHQNEZONNNYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2S/c1-10-15(12-18(13(2)3)14(4)5)11-16(6,7)17(8)21(9,19)20/h13-15H,10-12H2,1-9H3.
What are the key properties of N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 320.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).