4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine

C12H19N3OS — CID 62112145

IUPAC4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)CCCN1CCCC1
InChIInChI=1S/C12H19N3OS/c13-11-10-14-5-4-12(11)17(16)9-3-8-15-6-1-2-7-15/h4-5,10H,1-3,6-9,13H2
InChIKeyDRAWWLKEHPVCFO-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.26
Rot. Bonds5

About 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine

4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine (PubChem CID 62112145) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
PubChem CID62112145
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)CCCN1CCCC1
InChIInChI=1S/C12H19N3OS/c13-11-10-14-5-4-12(11)17(16)9-3-8-15-6-1-2-7-15/h4-5,10H,1-3,6-9,13H2
InChIKeyDRAWWLKEHPVCFO-UHFFFAOYSA-N
XLogP1.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine (CID 62112145) is 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine is Nc1cnccc1S(=O)CCCN1CCCC1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine?
The InChIKey is DRAWWLKEHPVCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-11-10-14-5-4-12(11)17(16)9-3-8-15-6-1-2-7-15/h4-5,10H,1-3,6-9,13H2.
What are the key properties of 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine?
4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine has a molecular weight of 253.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 62112145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).