N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide

C11H26N2O2S — CID 106335163

IUPACN,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide
SMILESCC(C)CCC(C)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H26N2O2S/c1-10(2)6-7-11(3)12-8-9-16(14,15)13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyGWQLTOSLKNQYPB-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.29
Rot. Bonds8

About N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide

N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide (PubChem CID 106335163) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide
PubChem CID106335163
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide
SMILESCC(C)CCC(C)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H26N2O2S/c1-10(2)6-7-11(3)12-8-9-16(14,15)13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyGWQLTOSLKNQYPB-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide
CID 95125733
N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 63926727
2-[1-(azepan-2-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106336117
3-(5-methylhexan-2-ylamino)propanenitrile
CID 43183224
4-[2-(5-methylhexan-2-ylamino)ethylsulfonyl]benzonitrile
CID 79591977
2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 56720277
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
CID 106334875

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide (CID 106335163) is N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide is CC(C)CCC(C)NCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide?
The InChIKey is GWQLTOSLKNQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-10(2)6-7-11(3)12-8-9-16(14,15)13(4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide?
N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 106335163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).