(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine

C14H17N3S — CID 118725538

IUPAC(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ccnc(-c3ccsc3)c2)C1
InChIInChI=1S/C14H17N3S/c1-15-12-3-6-17(9-12)13-2-5-16-14(8-13)11-4-7-18-10-11/h2,4-5,7-8,10,12,15H,3,6,9H2,1H3/t12-/m1/s1
InChIKeyCDHHHIZEKKOMJI-GFCCVEGCSA-N
MW259.38 g/mol
LogP2.61
Rot. Bonds3

About (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine

(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine (PubChem CID 118725538) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
PubChem CID118725538
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ccnc(-c3ccsc3)c2)C1
InChIInChI=1S/C14H17N3S/c1-15-12-3-6-17(9-12)13-2-5-16-14(8-13)11-4-7-18-10-11/h2,4-5,7-8,10,12,15H,3,6,9H2,1H3/t12-/m1/s1
InChIKeyCDHHHIZEKKOMJI-GFCCVEGCSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine (CID 118725538) is (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine is CN[C@@H]1CCN(c2ccnc(-c3ccsc3)c2)C1.
What is the InChIKey of (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine?
The InChIKey is CDHHHIZEKKOMJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3S/c1-15-12-3-6-17(9-12)13-2-5-16-14(8-13)11-4-7-18-10-11/h2,4-5,7-8,10,12,15H,3,6,9H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine?
(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine has a molecular weight of 259.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 118725538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).