bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen

C12H30N2O2S2 — CID 157248032

IUPACbis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
SMILESCSC[C@@H](C)N(C)C.CSC[C@@H](C)N(C)C.O=O
InChIInChI=1S/2C6H15NS.O2/c2*1-6(5-8-4)7(2)3;1-2/h2*6H,5H2,1-4H3;/t2*6-;/m11./s1
InChIKeyAVZZLZNPTPZERW-GOPSZHOCSA-N
MW298.52 g/mol
LogP2.67
Rot. Bonds6

About bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen

bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen (PubChem CID 157248032) has the molecular formula C12H30N2O2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen.

Molecular Properties

Compound Namebis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
PubChem CID157248032
Molecular FormulaC12H30N2O2S2
Molecular Weight298.52 g/mol
Exact Mass298.17
IUPAC Namebis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
SMILESCSC[C@@H](C)N(C)C.CSC[C@@H](C)N(C)C.O=O
InChIInChI=1S/2C6H15NS.O2/c2*1-6(5-8-4)7(2)3;1-2/h2*6H,5H2,1-4H3;/t2*6-;/m11./s1
InChIKeyAVZZLZNPTPZERW-GOPSZHOCSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol
CID 112663299
2-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoic acid
CID 112661600
1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine
CID 112665854
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
CID 112702867
2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112551537
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid
CID 112555224
3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one
CID 112662186
3-N-methyl-1-N-(2-methylpropyl)-3-N-(1-methylsulfanylpropan-2-yl)butane-1,3-diamine
CID 112665972
1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658627
1-fluoro-N,N-dimethylpropan-2-amine
CID 123355722
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585

Frequently Asked Questions

What is the IUPAC name of bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen?
The IUPAC name of bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen (CID 157248032) is bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen.
What is the SMILES notation for bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen?
The canonical SMILES for bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen is CSC[C@@H](C)N(C)C.CSC[C@@H](C)N(C)C.O=O.
What is the InChIKey of bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen?
The InChIKey is AVZZLZNPTPZERW-GOPSZHOCSA-N. The full InChI is InChI=1S/2C6H15NS.O2/c2*1-6(5-8-4)7(2)3;1-2/h2*6H,5H2,1-4H3;/t2*6-;/m11./s1.
What are the key properties of bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen?
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen has a molecular weight of 298.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen is sourced from PubChem (CID 157248032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).