N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride

C7H18Cl2N2S — CID 71756727

IUPACN,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride
SMILESCSC1CNCC1N(C)C.Cl.Cl
InChIInChI=1S/C7H16N2S.2ClH/c1-9(2)6-4-8-5-7(6)10-3;;/h6-8H,4-5H2,1-3H3;2*1H
InChIKeyYMDDQAXCUZEAFI-UHFFFAOYSA-N
MW233.21 g/mol
LogP1.10
Rot. Bonds2

About N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride

N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride (PubChem CID 71756727) has the molecular formula C7H18Cl2N2S and a molecular weight of 233.21 g/mol. Its IUPAC name is N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride
PubChem CID71756727
Molecular FormulaC7H18Cl2N2S
Molecular Weight233.21 g/mol
Exact Mass232.06
IUPAC NameN,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride
SMILESCSC1CNCC1N(C)C.Cl.Cl
InChIInChI=1S/C7H16N2S.2ClH/c1-9(2)6-4-8-5-7(6)10-3;;/h6-8H,4-5H2,1-3H3;2*1H
InChIKeyYMDDQAXCUZEAFI-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride (CID 71756727) is N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride is CSC1CNCC1N(C)C.Cl.Cl.
What is the InChIKey of N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is YMDDQAXCUZEAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S.2ClH/c1-9(2)6-4-8-5-7(6)10-3;;/h6-8H,4-5H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride?
N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 233.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 71756727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).