N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine

C11H22N2S — CID 60856009

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine
SMILESCCN1CCC(CNC2CCSC2)C1
InChIInChI=1S/C11H22N2S/c1-2-13-5-3-10(8-13)7-12-11-4-6-14-9-11/h10-12H,2-9H2,1H3
InChIKeyFYNYSHHEZMSPSP-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine (PubChem CID 60856009) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine
PubChem CID60856009
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine
SMILESCCN1CCC(CNC2CCSC2)C1
InChIInChI=1S/C11H22N2S/c1-2-13-5-3-10(8-13)7-12-11-4-6-14-9-11/h10-12H,2-9H2,1H3
InChIKeyFYNYSHHEZMSPSP-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine (CID 60856009) is N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine is CCN1CCC(CNC2CCSC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine?
The InChIKey is FYNYSHHEZMSPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-13-5-3-10(8-13)7-12-11-4-6-14-9-11/h10-12H,2-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 60856009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).