1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

C13H24N4O2S2 — CID 66377902

IUPAC1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)C1CSCCN1c1c(CNC)c(C)nn1C
InChIInChI=1S/C13H24N4O2S2/c1-5-21(18,19)12-9-20-7-6-17(12)13-11(8-14-3)10(2)15-16(13)4/h12,14H,5-9H2,1-4H3
InChIKeyRRWJJRFLXUBJTE-UHFFFAOYSA-N
MW332.50 g/mol
LogP0.76
Rot. Bonds5

About 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 66377902) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID66377902
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)C1CSCCN1c1c(CNC)c(C)nn1C
InChIInChI=1S/C13H24N4O2S2/c1-5-21(18,19)12-9-20-7-6-17(12)13-11(8-14-3)10(2)15-16(13)4/h12,14H,5-9H2,1-4H3
InChIKeyRRWJJRFLXUBJTE-UHFFFAOYSA-N
XLogP0.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine
CID 66383904
1-[5-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 114852258
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 66377518
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55159710
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
2-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylbenzonitrile
CID 107927610
4-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N-ethylmorpholine-3-carboxamide
CID 83103965
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80833716
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-3-ethylsulfonylthiomorpholine
CID 66377521
1-[5-(4,4-diethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63158522
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 66377902) is 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is CCS(=O)(=O)C1CSCCN1c1c(CNC)c(C)nn1C.
What is the InChIKey of 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is RRWJJRFLXUBJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-5-21(18,19)12-9-20-7-6-17(12)13-11(8-14-3)10(2)15-16(13)4/h12,14H,5-9H2,1-4H3.
What are the key properties of 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 332.50 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66377902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).