[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone

C14H18ClN3OS — CID 165434788

IUPAC[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncccc2Cl)C1)N1CCSCC1
InChIInChI=1S/C14H18ClN3OS/c15-12-2-1-4-16-13(12)18-5-3-11(10-18)14(19)17-6-8-20-9-7-17/h1-2,4,11H,3,5-10H2
InChIKeyMJEXHSMMDLQGLP-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.14
Rot. Bonds2

About [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone

[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 165434788) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID165434788
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncccc2Cl)C1)N1CCSCC1
InChIInChI=1S/C14H18ClN3OS/c15-12-2-1-4-16-13(12)18-5-3-11(10-18)14(19)17-6-8-20-9-7-17/h1-2,4,11H,3,5-10H2
InChIKeyMJEXHSMMDLQGLP-UHFFFAOYSA-N
XLogP2.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163343452
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435156
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539
[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166600752
[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163345044
[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358227
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
(4R)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 94525523

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone (CID 165434788) is [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCN(c2ncccc2Cl)C1)N1CCSCC1.
What is the InChIKey of [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is MJEXHSMMDLQGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c15-12-2-1-4-16-13(12)18-5-3-11(10-18)14(19)17-6-8-20-9-7-17/h1-2,4,11H,3,5-10H2.
What are the key properties of [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone?
[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 311.84 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 165434788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).