N-(2-pyridin-3-ylethyl)thian-3-amine

C12H18N2S — CID 62871449

IUPACN-(2-pyridin-3-ylethyl)thian-3-amine
SMILESc1cncc(CCNC2CCCSC2)c1
InChIInChI=1S/C12H18N2S/c1-3-11(9-13-6-1)5-7-14-12-4-2-8-15-10-12/h1,3,6,9,12,14H,2,4-5,7-8,10H2
InChIKeyRWJYSDAPSCUQGO-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.11
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)thian-3-amine

N-(2-pyridin-3-ylethyl)thian-3-amine (PubChem CID 62871449) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)thian-3-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)thian-3-amine
PubChem CID62871449
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-(2-pyridin-3-ylethyl)thian-3-amine
SMILESc1cncc(CCNC2CCCSC2)c1
InChIInChI=1S/C12H18N2S/c1-3-11(9-13-6-1)5-7-14-12-4-2-8-15-10-12/h1,3,6,9,12,14H,2,4-5,7-8,10H2
InChIKeyRWJYSDAPSCUQGO-UHFFFAOYSA-N
XLogP2.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 72912791
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 50972952
N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895344
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
N-(1,4-dithiepan-6-yl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 122555983
2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 60894469
N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842143
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine
CID 170899632

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)thian-3-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)thian-3-amine (CID 62871449) is N-(2-pyridin-3-ylethyl)thian-3-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)thian-3-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)thian-3-amine is c1cncc(CCNC2CCCSC2)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)thian-3-amine?
The InChIKey is RWJYSDAPSCUQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-11(9-13-6-1)5-7-14-12-4-2-8-15-10-12/h1,3,6,9,12,14H,2,4-5,7-8,10H2.
What are the key properties of N-(2-pyridin-3-ylethyl)thian-3-amine?
N-(2-pyridin-3-ylethyl)thian-3-amine has a molecular weight of 222.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)thian-3-amine is sourced from PubChem (CID 62871449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).