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

C14H32N2O2S — CID 118241728

IUPACN-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide
SMILESCCC(CN(CC)C(C)C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C14H32N2O2S/c1-8-13(11-16(9-2)12(3)4)10-14(5,6)15-19(7,17)18/h12-13,15H,8-11H2,1-7H3
InChIKeyAQFJUISDZXDMCX-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.46
Rot. Bonds9

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

N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide (PubChem CID 118241728) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide
PubChem CID118241728
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC NameN-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide
SMILESCCC(CN(CC)C(C)C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C14H32N2O2S/c1-8-13(11-16(9-2)12(3)4)10-14(5,6)15-19(7,17)18/h12-13,15H,8-11H2,1-7H3
InChIKeyAQFJUISDZXDMCX-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
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]methanesulfonamide?
The IUPAC name of N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide (CID 118241728) is N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide is CCC(CN(CC)C(C)C)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide?
The InChIKey is AQFJUISDZXDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-8-13(11-16(9-2)12(3)4)10-14(5,6)15-19(7,17)18/h12-13,15H,8-11H2,1-7H3.
What are the key properties of N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide?
N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide has a molecular weight of 292.49 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 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]methanesulfonamide is sourced from PubChem (CID 118241728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).