(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine

C12H14N2O3S3 — CID 99827350

IUPAC(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine
SMILESCc1csc([C@H]2COCCN2S(=O)(=O)c2cccs2)n1
InChIInChI=1S/C12H14N2O3S3/c1-9-8-19-12(13-9)10-7-17-5-4-14(10)20(15,16)11-3-2-6-18-11/h2-3,6,8,10H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyILWAUSZVEZLEGU-SNVBAGLBSA-N
MW330.46 g/mol
LogP2.28
Rot. Bonds3

About (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine

(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine (PubChem CID 99827350) has the molecular formula C12H14N2O3S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine
PubChem CID99827350
Molecular FormulaC12H14N2O3S3
Molecular Weight330.46 g/mol
Exact Mass330.02
IUPAC Name(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine
SMILESCc1csc([C@H]2COCCN2S(=O)(=O)c2cccs2)n1
InChIInChI=1S/C12H14N2O3S3/c1-9-8-19-12(13-9)10-7-17-5-4-14(10)20(15,16)11-3-2-6-18-11/h2-3,6,8,10H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyILWAUSZVEZLEGU-SNVBAGLBSA-N
XLogP2.28
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine
CID 110132456
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 99830623
[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 126786163
N,2-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113666
N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124960237
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
(4aS,6R,8aR)-6-methoxy-4-thiophen-2-ylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 124777933
(4aR,6R,8aS)-6-methoxy-4-thiophen-2-ylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 124604084
(3R)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 99830619
(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829886
(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829842
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine?
The IUPAC name of (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine (CID 99827350) is (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine.
What is the SMILES notation for (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine?
The canonical SMILES for (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine is Cc1csc([C@H]2COCCN2S(=O)(=O)c2cccs2)n1.
What is the InChIKey of (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine?
The InChIKey is ILWAUSZVEZLEGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O3S3/c1-9-8-19-12(13-9)10-7-17-5-4-14(10)20(15,16)11-3-2-6-18-11/h2-3,6,8,10H,4-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine?
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine has a molecular weight of 330.46 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine is sourced from PubChem (CID 99827350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).