2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine

C11H25NO2S2 — CID 115901167

IUPAC2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
SMILESCCC(CC)(CNC(C)CS(C)(=O)=O)SC
InChIInChI=1S/C11H25NO2S2/c1-6-11(7-2,15-4)9-12-10(3)8-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyRRARECSBCZROJD-UHFFFAOYSA-N
MW267.46 g/mol
LogP1.93
Rot. Bonds8

About 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine

2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine (PubChem CID 115901167) has the molecular formula C11H25NO2S2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
PubChem CID115901167
Molecular FormulaC11H25NO2S2
Molecular Weight267.46 g/mol
Exact Mass267.13
IUPAC Name2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
SMILESCCC(CC)(CNC(C)CS(C)(=O)=O)SC
InChIInChI=1S/C11H25NO2S2/c1-6-11(7-2,15-4)9-12-10(3)8-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyRRARECSBCZROJD-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
CID 64630784
2,2,4-trimethyl-N-(1-methylsulfonylpropan-2-yl)pentan-1-amine
CID 115901432
2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 115901030
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide
CID 106092341
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 64628962
N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
CID 64629394
N-(1-methylsulfonylpropan-2-yl)but-2-yn-1-amine
CID 64629603
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
2-ethyl-2-(1-methylsulfonylpropan-2-ylamino)propane-1,3-diol
CID 103935626
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine (CID 115901167) is 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine is CCC(CC)(CNC(C)CS(C)(=O)=O)SC.
What is the InChIKey of 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine?
The InChIKey is RRARECSBCZROJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S2/c1-6-11(7-2,15-4)9-12-10(3)8-16(5,13)14/h10,12H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine?
2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 115901167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).