N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide

C13H30N2O2S — CID 20780604

IUPACN-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide
SMILESCCN(C)C(C)(CC)C(C)(CC)N(C)S(C)(=O)=O
InChIInChI=1S/C13H30N2O2S/c1-9-12(4,14(6)11-3)13(5,10-2)15(7)18(8,16)17/h9-11H2,1-8H3
InChIKeyWHQCEBHXFOXYNA-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.17
Rot. Bonds7

About N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide

N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide (PubChem CID 20780604) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide
PubChem CID20780604
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC NameN-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide
SMILESCCN(C)C(C)(CC)C(C)(CC)N(C)S(C)(=O)=O
InChIInChI=1S/C13H30N2O2S/c1-9-12(4,14(6)11-3)13(5,10-2)15(7)18(8,16)17/h9-11H2,1-8H3
InChIKeyWHQCEBHXFOXYNA-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241714
N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241770
N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241778
N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241783
N-[(4R)-4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241905
N-[6-[tert-butyl(methyl)amino]-3,5-dimethylhexan-3-yl]-N-methylmethanesulfonamide
CID 118241906
N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide
CID 118241946
1-Methylsulfonyl-4-(2,3,3-trimethylpentan-2-yl)piperazine
CID 134590782
1-(2-Methylhexan-2-yl)-4-methylsulfonylpiperazine
CID 146437625
N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide
CID 62007662
N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide
CID 62008057

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide (CID 20780604) is N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide is CCN(C)C(C)(CC)C(C)(CC)N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide?
The InChIKey is WHQCEBHXFOXYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-9-12(4,14(6)11-3)13(5,10-2)15(7)18(8,16)17/h9-11H2,1-8H3.
What are the key properties of N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide?
N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide has a molecular weight of 278.46 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 20780604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).