1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea

C19H31N3O2S — CID 38357433

IUPAC1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea
SMILESCC[C@@](C)(CNC(=O)N[C@@H](C)c1ccc(SC)cc1)N1CCOCC1
InChIInChI=1S/C19H31N3O2S/c1-5-19(3,22-10-12-24-13-11-22)14-20-18(23)21-15(2)16-6-8-17(25-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3,(H2,20,21,23)/t15-,19-/m0/s1
InChIKeyGHHZWMAFPCNJLH-KXBFYZLASA-N
MW365.54 g/mol
LogP3.27
Rot. Bonds7

About 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea

1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea (PubChem CID 38357433) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea
PubChem CID38357433
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea
SMILESCC[C@@](C)(CNC(=O)N[C@@H](C)c1ccc(SC)cc1)N1CCOCC1
InChIInChI=1S/C19H31N3O2S/c1-5-19(3,22-10-12-24-13-11-22)14-20-18(23)21-15(2)16-6-8-17(25-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3,(H2,20,21,23)/t15-,19-/m0/s1
InChIKeyGHHZWMAFPCNJLH-KXBFYZLASA-N
XLogP3.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea with MolForge

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Related Compounds

1-[(2R)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38357438
1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94039006
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 15702405
4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide
CID 46450216
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 28557563
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 24840182
N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide
CID 94671225
1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 51082357
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea
CID 38355340
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
CID 39135540
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea?
The IUPAC name of 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea (CID 38357433) is 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea?
The canonical SMILES for 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea is CC[C@@](C)(CNC(=O)N[C@@H](C)c1ccc(SC)cc1)N1CCOCC1.
What is the InChIKey of 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea?
The InChIKey is GHHZWMAFPCNJLH-KXBFYZLASA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-5-19(3,22-10-12-24-13-11-22)14-20-18(23)21-15(2)16-6-8-17(25-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3,(H2,20,21,23)/t15-,19-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea?
1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea has a molecular weight of 365.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]urea is sourced from PubChem (CID 38357433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).