2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine

C11H22N2S — CID 131352232

IUPAC2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine
SMILESNCCC1(N2CCCC2)CCSCC1
InChIInChI=1S/C11H22N2S/c12-6-3-11(4-9-14-10-5-11)13-7-1-2-8-13/h1-10,12H2
InChIKeyMQZUYYHHXQGPTL-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine

2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine (PubChem CID 131352232) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine
PubChem CID131352232
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine
SMILESNCCC1(N2CCCC2)CCSCC1
InChIInChI=1S/C11H22N2S/c12-6-3-11(4-9-14-10-5-11)13-7-1-2-8-13/h1-10,12H2
InChIKeyMQZUYYHHXQGPTL-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-Fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine
CID 115030969
1-[(3-Fluorothiolan-3-yl)methyl]piperidin-4-amine
CID 126845982
4-(2-aminoethyl)-N,N-dimethyltetrahydro-2H-thiopyran-4-amine
CID 10845314
4-Tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58245087
8-Tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58959518
2,9-Dimethanidyl-6-thia-2,9-diazoniaspiro[4.5]decane
CID 59014481
2,8-Dimethyl-1-thia-3,8-diazaspiro[4.5]decane
CID 66993962
8-Thia-1-azaspiro[4.5]decane
CID 82652049
4-(2-aminoethyl)-N-methylthian-4-amine
CID 139719644
(3-Piperidin-1-ylthiolan-3-yl)methanamine
CID 24701758
1-[(3R)-thiolan-3-yl]piperidin-4-amine
CID 29009632
1-[(3S)-thiolan-3-yl]piperidin-4-amine
CID 29009634

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine?
The IUPAC name of 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine (CID 131352232) is 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine?
The canonical SMILES for 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine is NCCC1(N2CCCC2)CCSCC1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine?
The InChIKey is MQZUYYHHXQGPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c12-6-3-11(4-9-14-10-5-11)13-7-1-2-8-13/h1-10,12H2.
What are the key properties of 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine?
2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine has a molecular weight of 214.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylthian-4-yl)ethanamine is sourced from PubChem (CID 131352232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).