N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide

C15H34N2O2S — CID 118241906

IUPACN-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide
SMILESCCC(C)(CC(C)CN(C)C(C)(C)C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H34N2O2S/c1-10-15(6,17(8)20(9,18)19)11-13(2)12-16(7)14(3,4)5/h13H,10-12H2,1-9H3
InChIKeyXDJLVLGLUGIXBH-UHFFFAOYSA-N
MW306.52 g/mol
LogP2.80
Rot. Bonds7

About N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide

N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide (PubChem CID 118241906) has the molecular formula C15H34N2O2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide
PubChem CID118241906
Molecular FormulaC15H34N2O2S
Molecular Weight306.52 g/mol
Exact Mass306.23
IUPAC NameN-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide
SMILESCCC(C)(CC(C)CN(C)C(C)(C)C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H34N2O2S/c1-10-15(6,17(8)20(9,18)19)11-13(2)12-16(7)14(3,4)5/h13H,10-12H2,1-9H3
InChIKeyXDJLVLGLUGIXBH-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide (CID 118241906) is N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide is CCC(C)(CC(C)CN(C)C(C)(C)C)N(C)S(C)(=O)=O.
What is the InChIKey of N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide?
The InChIKey is XDJLVLGLUGIXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2S/c1-10-15(6,17(8)20(9,18)19)11-13(2)12-16(7)14(3,4)5/h13H,10-12H2,1-9H3.
What are the key properties of N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide?
N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide has a molecular weight of 306.52 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).