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

C11H22N2S — CID 43394934

IUPACN-(2-pyrrolidin-1-ylethyl)thian-4-amine
SMILESC1CCN(CCNC2CCSCC2)C1
InChIInChI=1S/C11H22N2S/c1-2-7-13(6-1)8-5-12-11-3-9-14-10-4-11/h11-12H,1-10H2
InChIKeyTYBUJHVEDOGLGE-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.57
Rot. Bonds4

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

N-(2-pyrrolidin-1-ylethyl)thian-4-amine (PubChem CID 43394934) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)thian-4-amine
PubChem CID43394934
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-(2-pyrrolidin-1-ylethyl)thian-4-amine
SMILESC1CCN(CCNC2CCSCC2)C1
InChIInChI=1S/C11H22N2S/c1-2-7-13(6-1)8-5-12-11-3-9-14-10-4-11/h11-12H,1-10H2
InChIKeyTYBUJHVEDOGLGE-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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Related Compounds

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4-Fluoro-1-[4-(methylsulfanyl)pyrrolidin-3-yl]piperidine
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3-(Pyrrolidin-1-ylmethyl)thiomorpholine
CID 15730147
(R)-3-(1-pyrrolidinylmethyl)thiomorpholine
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3-(Pyrrolidin-1-ylmethyl)thiomorpholine dihydrochloride
CID 18915088
3-(Pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride
CID 19735829
2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]thiazine
CID 19969871
4-(Pyrrolidin-2-ylmethyl)thiomorpholine
CID 20581138
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
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CID 20655878

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)thian-4-amine (CID 43394934) is N-(2-pyrrolidin-1-ylethyl)thian-4-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)thian-4-amine is C1CCN(CCNC2CCSCC2)C1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The InChIKey is TYBUJHVEDOGLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-7-13(6-1)8-5-12-11-3-9-14-10-4-11/h11-12H,1-10H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)thian-4-amine?
N-(2-pyrrolidin-1-ylethyl)thian-4-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-(2-pyrrolidin-1-ylethyl)thian-4-amine is sourced from PubChem (CID 43394934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).