4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide

C19H35N3O3S — CID 3238919

IUPAC4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCSCCC(NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H35N3O3S/c1-15-3-5-16(6-4-15)18(23)21-17(7-14-26-2)19(24)20-8-9-22-10-12-25-13-11-22/h15-17H,3-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyWMCSUSCHXAPYIF-UHFFFAOYSA-N
MW385.57 g/mol
LogP1.50
Rot. Bonds9

About 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 3238919) has the molecular formula C19H35N3O3S and a molecular weight of 385.57 g/mol. Its IUPAC name is 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
PubChem CID3238919
Molecular FormulaC19H35N3O3S
Molecular Weight385.57 g/mol
Exact Mass385.24
IUPAC Name4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCSCCC(NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H35N3O3S/c1-15-3-5-16(6-4-15)18(23)21-17(7-14-26-2)19(24)20-8-9-22-10-12-25-13-11-22/h15-17H,3-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyWMCSUSCHXAPYIF-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide (CID 3238919) is 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide is CSCCC(NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is WMCSUSCHXAPYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3S/c1-15-3-5-16(6-4-15)18(23)21-17(7-14-26-2)19(24)20-8-9-22-10-12-25-13-11-22/h15-17H,3-14H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 385.57 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3238919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).