4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine

C10H15N3S — CID 127004804

IUPAC4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine
SMILESCSC1CCN(c2ccncc2N)C1
InChIInChI=1S/C10H15N3S/c1-14-8-3-5-13(7-8)10-2-4-12-6-9(10)11/h2,4,6,8H,3,5,7,11H2,1H3
InChIKeyXMYITUOITNVUMO-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.61
Rot. Bonds2

About 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine

4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine (PubChem CID 127004804) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine
PubChem CID127004804
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine
SMILESCSC1CCN(c2ccncc2N)C1
InChIInChI=1S/C10H15N3S/c1-14-8-3-5-13(7-8)10-2-4-12-6-9(10)11/h2,4,6,8H,3,5,7,11H2,1H3
InChIKeyXMYITUOITNVUMO-UHFFFAOYSA-N
XLogP1.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
4-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine
CID 43585737
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
CID 81197311
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940469
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 54985825
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
CID 90205773
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
CID 145199464
4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
CID 79688892
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine?
The IUPAC name of 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine (CID 127004804) is 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine.
What is the SMILES notation for 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine?
The canonical SMILES for 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine is CSC1CCN(c2ccncc2N)C1.
What is the InChIKey of 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine?
The InChIKey is XMYITUOITNVUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-14-8-3-5-13(7-8)10-2-4-12-6-9(10)11/h2,4,6,8H,3,5,7,11H2,1H3.
What are the key properties of 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine?
4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine has a molecular weight of 209.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine is sourced from PubChem (CID 127004804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).