N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide

C11H26N2O2S2 — CID 106092341

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCC(CC)(CNS(=O)(=O)C(C)CNC)SC
InChIInChI=1S/C11H26N2O2S2/c1-6-11(7-2,16-5)9-13-17(14,15)10(3)8-12-4/h10,12-13H,6-9H2,1-5H3
InChIKeyVVUMDVLNSYJDJH-UHFFFAOYSA-N
MW282.47 g/mol
LogP1.44
Rot. Bonds9

About N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide

N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106092341) has the molecular formula C11H26N2O2S2 and a molecular weight of 282.47 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106092341
Molecular FormulaC11H26N2O2S2
Molecular Weight282.47 g/mol
Exact Mass282.14
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCC(CC)(CNS(=O)(=O)C(C)CNC)SC
InChIInChI=1S/C11H26N2O2S2/c1-6-11(7-2,16-5)9-13-17(14,15)10(3)8-12-4/h10,12-13H,6-9H2,1-5H3
InChIKeyVVUMDVLNSYJDJH-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 106078789
2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 115901167
1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide
CID 113328190
N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 114142112
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
CID 103797840
N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103787204
2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide
CID 103881656
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815
(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103833285
1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
CID 114141939
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide (CID 106092341) is N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide is CCC(CC)(CNS(=O)(=O)C(C)CNC)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is VVUMDVLNSYJDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S2/c1-6-11(7-2,16-5)9-13-17(14,15)10(3)8-12-4/h10,12-13H,6-9H2,1-5H3.
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide?
N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 282.47 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106092341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).