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

C15H34N2O2S — CID 118241783

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

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

N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (PubChem CID 118241783) has the molecular formula C15H34N2O2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
PubChem CID118241783
Molecular FormulaC15H34N2O2S
Molecular Weight306.52 g/mol
Exact Mass306.23
IUPAC NameN-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(CC)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H34N2O2S/c1-9-14(12-17(10-2)13(3)4)11-15(5,6)16(7)20(8,18)19/h13-14H,9-12H2,1-8H3
InChIKeyCHRUWMOJQLWIME-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (CID 118241783) is N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is CCC(CN(CC)C(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is CHRUWMOJQLWIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2S/c1-9-14(12-17(10-2)13(3)4)11-15(5,6)16(7)20(8,18)19/h13-14H,9-12H2,1-8H3.
What are the key properties of N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide 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-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).