(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone

C11H13ClN2OS — CID 115611722

IUPAC(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)nc2)CCS1
InChIInChI=1S/C11H13ClN2OS/c1-8-7-14(4-5-16-8)11(15)9-2-3-10(12)13-6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyMRKWEGKSWOBGRH-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.31
Rot. Bonds1

About (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone

(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone (PubChem CID 115611722) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
PubChem CID115611722
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)nc2)CCS1
InChIInChI=1S/C11H13ClN2OS/c1-8-7-14(4-5-16-8)11(15)9-2-3-10(12)13-6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyMRKWEGKSWOBGRH-UHFFFAOYSA-N
XLogP2.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106950
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103532739
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 115611728
(6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 95905580
3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
CID 115612080
(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 114924651

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone (CID 115611722) is (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(Cl)nc2)CCS1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The InChIKey is MRKWEGKSWOBGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-8-7-14(4-5-16-8)11(15)9-2-3-10(12)13-6-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone has a molecular weight of 256.76 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 115611722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).