1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea

C15H24N2O3S2 — CID 100725745

IUPAC1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea
SMILESCCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1SC
InChIInChI=1S/C15H24N2O3S2/c1-5-22(19,20)10-11(2)16-15(18)17-12(3)13-8-6-7-9-14(13)21-4/h6-9,11-12H,5,10H2,1-4H3,(H2,16,17,18)/t11-,12+/m0/s1
InChIKeyDCBWUIQKYSSAOS-NWDGAFQWSA-N
MW344.50 g/mol
LogP2.59
Rot. Bonds7

About 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea

1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea (PubChem CID 100725745) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea
PubChem CID100725745
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea
SMILESCCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1SC
InChIInChI=1S/C15H24N2O3S2/c1-5-22(19,20)10-11(2)16-15(18)17-12(3)13-8-6-7-9-14(13)21-4/h6-9,11-12H,5,10H2,1-4H3,(H2,16,17,18)/t11-,12+/m0/s1
InChIKeyDCBWUIQKYSSAOS-NWDGAFQWSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122013272
1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
CID 95626056
2-methyl-3-[methyl-[[(1R)-1-(2-methylsulfanylphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122013382
methyl 2-[3-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoylamino]pyrazol-1-yl]acetate
CID 122150516
(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124729681
(3S)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124729680
1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517893
1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol
CID 113494512
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methyl-3-phenylbutanamide
CID 96539664
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
1-[[(1R)-1-(2-methylsulfanylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122013375
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea?
The IUPAC name of 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea (CID 100725745) is 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea?
The canonical SMILES for 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea is CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1SC.
What is the InChIKey of 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea?
The InChIKey is DCBWUIQKYSSAOS-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-5-22(19,20)10-11(2)16-15(18)17-12(3)13-8-6-7-9-14(13)21-4/h6-9,11-12H,5,10H2,1-4H3,(H2,16,17,18)/t11-,12+/m0/s1.
What are the key properties of 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea?
1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea has a molecular weight of 344.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-ethylsulfonylpropan-2-yl]-3-[(1R)-1-(2-methylsulfanylphenyl)ethyl]urea is sourced from PubChem (CID 100725745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).