(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone

C11H14ClN3OS — CID 114924651

IUPAC(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)ncc2Cl)CCS1
InChIInChI=1S/C11H14ClN3OS/c1-7-6-15(2-3-17-7)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,2-3,6H2,1H3,(H2,13,14)
InChIKeyVDHZZWKQOUNFCZ-UHFFFAOYSA-N
MW271.77 g/mol
LogP1.89
Rot. Bonds1

About (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone

(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone (PubChem CID 114924651) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
PubChem CID114924651
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)ncc2Cl)CCS1
InChIInChI=1S/C11H14ClN3OS/c1-7-6-15(2-3-17-7)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,2-3,6H2,1H3,(H2,13,14)
InChIKeyVDHZZWKQOUNFCZ-UHFFFAOYSA-N
XLogP1.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone with MolForge

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Related Compounds

(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923710
(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102966244
(2-amino-5-chloro-4-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114923992
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-amino-5-chloro-4-pyridinyl)methanone
CID 114922388
(2-amino-5-chloro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114923810
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 114921648
(2-amino-5-chloro-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114923574
(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 114922444
(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611722
(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 105387522

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone (CID 114924651) is (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(N)ncc2Cl)CCS1.
What is the InChIKey of (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The InChIKey is VDHZZWKQOUNFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-7-6-15(2-3-17-7)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,2-3,6H2,1H3,(H2,13,14).
What are the key properties of (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone has a molecular weight of 271.77 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 114924651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).