(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone

C11H18N4OS — CID 103595259

IUPAC(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1CSCCN1C
InChIInChI=1S/C11H18N4OS/c1-3-4-15-9(7-12-13-15)11(16)10-8-17-6-5-14(10)2/h7,10H,3-6,8H2,1-2H3
InChIKeyJTWAQPZLNPXDJF-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.92
Rot. Bonds4

About (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone

(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 103595259) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID103595259
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1CSCCN1C
InChIInChI=1S/C11H18N4OS/c1-3-4-15-9(7-12-13-15)11(16)10-8-17-6-5-14(10)2/h7,10H,3-6,8H2,1-2H3
InChIKeyJTWAQPZLNPXDJF-UHFFFAOYSA-N
XLogP0.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5,6-Dimethyl-1,4-dithian-2-yl)-(3-propyltriazol-4-yl)methanone
CID 103344787
(5,6-Dimethyl-1,4-dithian-2-yl)-(3-methyltriazol-4-yl)methanone
CID 103344934
(4-Methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone
CID 103595406
(2-Methylthiolan-2-yl)-(3-propyltriazol-4-yl)methanone
CID 105129378
1-(3-Propyltriazol-4-yl)-2-(thian-4-yl)ethanone
CID 105129509
3-Methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-one
CID 105129524
1-(3-Methyltriazol-4-yl)-2-(thian-4-yl)ethanone
CID 105131436
3-Methylsulfanyl-1-(3-methyltriazol-4-yl)propan-1-one
CID 105131443
1-(1-Piperidin-4-yltriazol-4-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736374
3-Ethylsulfonyl-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
CID 106736375
1-(1-Piperidin-4-yltriazol-4-yl)-3-propylsulfonylpropan-1-one
CID 106736376
1-(4-Methylthiomorpholin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047673

Frequently Asked Questions

What is the IUPAC name of (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone (CID 103595259) is (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)C1CSCCN1C.
What is the InChIKey of (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is JTWAQPZLNPXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-4-15-9(7-12-13-15)11(16)10-8-17-6-5-14(10)2/h7,10H,3-6,8H2,1-2H3.
What are the key properties of (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone?
(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 103595259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).