N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine

C8H18N2S — CID 54236574

IUPACN-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCCNC1CNCC1CSC
InChIInChI=1S/C8H18N2S/c1-3-10-8-5-9-4-7(8)6-11-2/h7-10H,3-6H2,1-2H3
InChIKeyNNMOQTATRWEQFA-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.55
Rot. Bonds4

About N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine

N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine (PubChem CID 54236574) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
PubChem CID54236574
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCCNC1CNCC1CSC
InChIInChI=1S/C8H18N2S/c1-3-10-8-5-9-4-7(8)6-11-2/h7-10H,3-6H2,1-2H3
InChIKeyNNMOQTATRWEQFA-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine (CID 54236574) is N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine is CCNC1CNCC1CSC.
What is the InChIKey of N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The InChIKey is NNMOQTATRWEQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-3-10-8-5-9-4-7(8)6-11-2/h7-10H,3-6H2,1-2H3.
What are the key properties of N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine has a molecular weight of 174.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 54236574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).