(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

C11H18N4O3S2 — CID 66384069

IUPAC(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1nn(C)cc1N
InChIInChI=1S/C11H18N4O3S2/c1-3-20(17,18)9-7-19-5-4-15(9)11(16)10-8(12)6-14(2)13-10/h6,9H,3-5,7,12H2,1-2H3
InChIKeyKJECYGAPYKJZRZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.05
Rot. Bonds3

About (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66384069) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66384069
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1nn(C)cc1N
InChIInChI=1S/C11H18N4O3S2/c1-3-20(17,18)9-7-19-5-4-15(9)11(16)10-8(12)6-14(2)13-10/h6,9H,3-5,7,12H2,1-2H3
InChIKeyKJECYGAPYKJZRZ-UHFFFAOYSA-N
XLogP-0.05
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66370150
(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 81245914
(4-amino-3-bromophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66378521
(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone
CID 66375654
(2-amino-6-chloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376811
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
(6-amino-5-chloro-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376616
(2-amino-5-chloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 114923975
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 66377198
(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107723282
(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377184
(3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 66377589

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (CID 66384069) is (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)c1nn(C)cc1N.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is KJECYGAPYKJZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-3-20(17,18)9-7-19-5-4-15(9)11(16)10-8(12)6-14(2)13-10/h6,9H,3-5,7,12H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66384069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).