N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine

C11H22N2S — CID 43179039

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine
SMILESCCN1CCCC1CNC1CCSC1
InChIInChI=1S/C11H22N2S/c1-2-13-6-3-4-11(13)8-12-10-5-7-14-9-10/h10-12H,2-9H2,1H3
InChIKeyFQOJICQQXNJTHO-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.57
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine (PubChem CID 43179039) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine
PubChem CID43179039
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine
SMILESCCN1CCCC1CNC1CCSC1
InChIInChI=1S/C11H22N2S/c1-2-13-6-3-4-11(13)8-12-10-5-7-14-9-10/h10-12H,2-9H2,1H3
InChIKeyFQOJICQQXNJTHO-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine (CID 43179039) is N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine is CCN1CCCC1CNC1CCSC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine?
The InChIKey is FQOJICQQXNJTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-13-6-3-4-11(13)8-12-10-5-7-14-9-10/h10-12H,2-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 43179039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).