2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine

C12H19N3OS — CID 54961277

IUPAC2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)CCCN1CCCC1
InChIInChI=1S/C12H19N3OS/c13-11-5-3-6-14-12(11)17(16)10-4-9-15-7-1-2-8-15/h3,5-6H,1-2,4,7-10,13H2
InChIKeyOILJYTNGDQRZTB-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.26
Rot. Bonds5

About 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine

2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine (PubChem CID 54961277) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
PubChem CID54961277
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)CCCN1CCCC1
InChIInChI=1S/C12H19N3OS/c13-11-5-3-6-14-12(11)17(16)10-4-9-15-7-1-2-8-15/h3,5-6H,1-2,4,7-10,13H2
InChIKeyOILJYTNGDQRZTB-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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Related Compounds

2-pentylsulfinylpyridin-3-amine
CID 61369597
4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
CID 62112145
2-(2,2-difluoroethylsulfinyl)pyridin-3-amine
CID 61367922
3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152
5-fluoro-2-(3-pyrrolidin-1-ylpropylsulfinyl)aniline
CID 81192189
6-(2-pyrrolidin-1-ylethoxy)quinolin-5-amine
CID 61102865
3-chloro-4-(3-pyrrolidin-1-ylpropylsulfinyl)aniline
CID 81182618
4-chloro-3-(3-pyrrolidin-1-ylpropylsulfinyl)aniline
CID 81207679
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide
CID 61368103
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
CID 61368096
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine (CID 54961277) is 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine is Nc1cccnc1S(=O)CCCN1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine?
The InChIKey is OILJYTNGDQRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-11-5-3-6-14-12(11)17(16)10-4-9-15-7-1-2-8-15/h3,5-6H,1-2,4,7-10,13H2.
What are the key properties of 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine?
2-(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 2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 54961277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).