N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide

C16H25N3O3S2 — CID 119939996

IUPACN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)CC2CSCCN2)cc1
InChIInChI=1S/C16H25N3O3S2/c1-13-3-5-15(6-4-13)24(21,22)18-7-9-19(2)16(20)11-14-12-23-10-8-17-14/h3-6,14,17-18H,7-12H2,1-2H3
InChIKeyXSDDOJUVTYVRIK-UHFFFAOYSA-N
MW371.53 g/mol
LogP0.83
Rot. Bonds7

About N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide

N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939996) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939996
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC NameN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)CC2CSCCN2)cc1
InChIInChI=1S/C16H25N3O3S2/c1-13-3-5-15(6-4-13)24(21,22)18-7-9-19(2)16(20)11-14-12-23-10-8-17-14/h3-6,14,17-18H,7-12H2,1-2H3
InChIKeyXSDDOJUVTYVRIK-UHFFFAOYSA-N
XLogP0.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
(2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 662979
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine
CID 446411
N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 1006987
4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 1090373
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1326327
2,2-Dimethyl-N-[1-(4-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 3218828
1-[(4-methylphenyl)sulfonyl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 3240900
1-Cyclohexyl-4-({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)piperazine
CID 3242304
N-[2-(azepan-1-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 3245560

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide (CID 119939996) is N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide is Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CC2CSCCN2)cc1.
What is the InChIKey of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is XSDDOJUVTYVRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-13-3-5-15(6-4-13)24(21,22)18-7-9-19(2)16(20)11-14-12-23-10-8-17-14/h3-6,14,17-18H,7-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 371.53 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).