2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine

C14H21N3S — CID 43676508

IUPAC2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine
SMILESc1cnc(N2CCCC2)c(NC2CCSCC2)c1
InChIInChI=1S/C14H21N3S/c1-2-9-17(8-1)14-13(4-3-7-15-14)16-12-5-10-18-11-6-12/h3-4,7,12,16H,1-2,5-6,8-11H2
InChIKeyOWKMZPHXZMHJPS-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.99
Rot. Bonds3

About 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine

2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine (PubChem CID 43676508) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine
PubChem CID43676508
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine
SMILESc1cnc(N2CCCC2)c(NC2CCSCC2)c1
InChIInChI=1S/C14H21N3S/c1-2-9-17(8-1)14-13(4-3-7-15-14)16-12-5-10-18-11-6-12/h3-4,7,12,16H,1-2,5-6,8-11H2
InChIKeyOWKMZPHXZMHJPS-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676380
N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine
CID 103981032
N-(3-methylcyclopentyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 64500200
2-chloro-N-(thian-4-yl)pyridin-3-amine
CID 43690107
N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 112568481
N-(2-pyrrolidin-1-yl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824696
N-(2-methyloxolan-3-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 82727361
2-ethoxy-N-(thian-4-yl)pyridin-3-amine
CID 43706527
N-(thian-4-yl)pyridin-2-amine
CID 68572241
N-(4-piperidin-1-ylphenyl)thian-4-amine
CID 43715688
[1-[4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzoyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 142637069
N-cyclopropyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 103439170

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine (CID 43676508) is 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine is c1cnc(N2CCCC2)c(NC2CCSCC2)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine?
The InChIKey is OWKMZPHXZMHJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-9-17(8-1)14-13(4-3-7-15-14)16-12-5-10-18-11-6-12/h3-4,7,12,16H,1-2,5-6,8-11H2.
What are the key properties of 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine?
2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine has a molecular weight of 263.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine is sourced from PubChem (CID 43676508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).