4-(2-pyrrolidin-1-ylethyl)thian-4-amine

C11H22N2S — CID 84734873

IUPAC4-(2-pyrrolidin-1-ylethyl)thian-4-amine
SMILESNC1(CCN2CCCC2)CCSCC1
InChIInChI=1S/C11H22N2S/c12-11(4-9-14-10-5-11)3-8-13-6-1-2-7-13/h1-10,12H2
InChIKeyIXXXYBUOCJUMFN-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.70
Rot. Bonds3

About 4-(2-pyrrolidin-1-ylethyl)thian-4-amine

4-(2-pyrrolidin-1-ylethyl)thian-4-amine (PubChem CID 84734873) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethyl)thian-4-amine.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethyl)thian-4-amine
PubChem CID84734873
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-(2-pyrrolidin-1-ylethyl)thian-4-amine
SMILESNC1(CCN2CCCC2)CCSCC1
InChIInChI=1S/C11H22N2S/c12-11(4-9-14-10-5-11)3-8-13-6-1-2-7-13/h1-10,12H2
InChIKeyIXXXYBUOCJUMFN-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-(Fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
CID 115030968
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-(4-Pyrrolidin-1-ylthian-4-yl)ethanamine
CID 131352232
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thian-4-amine
CID 55171239
(4-Pyrrolidin-1-ylthian-4-yl)methanamine
CID 61562873
[4-(2-Methylpyrrolidin-1-yl)thian-4-yl]methanamine
CID 61565535
[1-(Thiolan-3-yl)piperidin-4-yl]methanamine
CID 61788032
(1-(tetrahydro-2H-thiopyran-4-yl)pyrrolidin-3-yl)methanamine
CID 62068075
(3-Pyrrolidin-1-ylthian-3-yl)methanamine
CID 62872731
[1-(Thian-3-yl)pyrrolidin-3-yl]methanamine
CID 62873138

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The IUPAC name of 4-(2-pyrrolidin-1-ylethyl)thian-4-amine (CID 84734873) is 4-(2-pyrrolidin-1-ylethyl)thian-4-amine.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethyl)thian-4-amine is NC1(CCN2CCCC2)CCSCC1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The InChIKey is IXXXYBUOCJUMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c12-11(4-9-14-10-5-11)3-8-13-6-1-2-7-13/h1-10,12H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethyl)thian-4-amine?
4-(2-pyrrolidin-1-ylethyl)thian-4-amine 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 4-(2-pyrrolidin-1-ylethyl)thian-4-amine is sourced from PubChem (CID 84734873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).