N-ethyl-4-methylsulfanylpyrrolidin-3-amine

C7H16N2S — CID 19969809

IUPACN-ethyl-4-methylsulfanylpyrrolidin-3-amine
SMILESCCNC1CNCC1SC
InChIInChI=1S/C7H16N2S/c1-3-9-6-4-8-5-7(6)10-2/h6-9H,3-5H2,1-2H3
InChIKeyYYKNVQTUDLJKGI-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.30
Rot. Bonds3

About N-ethyl-4-methylsulfanylpyrrolidin-3-amine

N-ethyl-4-methylsulfanylpyrrolidin-3-amine (PubChem CID 19969809) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N-ethyl-4-methylsulfanylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfanylpyrrolidin-3-amine
PubChem CID19969809
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN-ethyl-4-methylsulfanylpyrrolidin-3-amine
SMILESCCNC1CNCC1SC
InChIInChI=1S/C7H16N2S/c1-3-9-6-4-8-5-7(6)10-2/h6-9H,3-5H2,1-2H3
InChIKeyYYKNVQTUDLJKGI-UHFFFAOYSA-N
XLogP0.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(methylsulfanyl)pyrrolidin-3-amine dihydrochloride
CID 71756727
N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760081
4-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760244
4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760327
N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 82760337
N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760893
1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 103748195
N-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 106429780
N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 106429781
N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 106432542
N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylpyrrolidin-3-amine
CID 116315163
N-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 116616930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-4-methylsulfanylpyrrolidin-3-amine (CID 19969809) is N-ethyl-4-methylsulfanylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-4-methylsulfanylpyrrolidin-3-amine is CCNC1CNCC1SC.
What is the InChIKey of N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The InChIKey is YYKNVQTUDLJKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-3-9-6-4-8-5-7(6)10-2/h6-9H,3-5H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
N-ethyl-4-methylsulfanylpyrrolidin-3-amine has a molecular weight of 160.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfanylpyrrolidin-3-amine is sourced from PubChem (CID 19969809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).