2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide

C13H18ClN3O3S — CID 171430440

IUPAC2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1nc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C13H18ClN3O3S/c14-13-3-2-12(16-5-7-20-8-6-16)11(15-13)10-17-4-1-9-21(17,18)19/h2-3H,1,4-10H2
InChIKeyJOGABVBDAUKERT-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.11
Rot. Bonds3

About 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 171430440) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID171430440
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC Name2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1nc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C13H18ClN3O3S/c14-13-3-2-12(16-5-7-20-8-6-16)11(15-13)10-17-4-1-9-21(17,18)19/h2-3H,1,4-10H2
InChIKeyJOGABVBDAUKERT-UHFFFAOYSA-N
XLogP1.11
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4-dichlorophenyl)methyl]-1,4,5-oxathiazepane 4,4-dioxide
CID 25011379
2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620084
2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide
CID 130921178
3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-oxazolidine
CID 130474714
6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 118695072
5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine
CID 118224361
4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine
CID 11327090
2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62209739
2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620082
4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine
CID 91226547
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664522
6-chloro-5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
CID 154705208

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 171430440) is 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1nc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is JOGABVBDAUKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c14-13-3-2-12(16-5-7-20-8-6-16)11(15-13)10-17-4-1-9-21(17,18)19/h2-3H,1,4-10H2.
What are the key properties of 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 331.83 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171430440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).