[1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea

C16H21N3O2S — CID 124589130

IUPAC[1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea
SMILESC[C@@H]1SCCN(C(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H21N3O2S/c1-11-13(12-5-3-2-4-6-12)19(9-10-22-11)14(20)16(7-8-16)18-15(17)21/h2-6,11,13H,7-10H2,1H3,(H3,17,18,21)/t11-,13-/m0/s1
InChIKeySSJAOYCEAUVZQS-AAEUAGOBSA-N
MW319.43 g/mol
LogP1.89
Rot. Bonds3

About [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea

[1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea (PubChem CID 124589130) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea.

Molecular Properties

Compound Name[1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea
PubChem CID124589130
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name[1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea
SMILESC[C@@H]1SCCN(C(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H21N3O2S/c1-11-13(12-5-3-2-4-6-12)19(9-10-22-11)14(20)16(7-8-16)18-15(17)21/h2-6,11,13H,7-10H2,1H3,(H3,17,18,21)/t11-,13-/m0/s1
InChIKeySSJAOYCEAUVZQS-AAEUAGOBSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea with MolForge

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Related Compounds

[1-[(2S,3S)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea
CID 124589127
[5-[(2R,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-5-oxopentyl]urea
CID 124567149
3-(2-aminophenyl)-1-(2-methyl-3-phenylthiomorpholin-4-yl)propan-1-one
CID 120611078
[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 124835278
N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide
CID 95630149
4-methyl-2-[2-[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-2-oxoethyl]-1,2,4-triazol-3-one
CID 124615900
(2-methyl-3-phenylthiomorpholin-4-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone
CID 120934146
N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide
CID 95630156
(2R,3S)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-3-phenylthiomorpholine
CID 95630131
N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
CID 166176525
3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide
CID 12517890
2-methyl-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 56792507

Frequently Asked Questions

What is the IUPAC name of [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea?
The IUPAC name of [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea (CID 124589130) is [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea.
What is the SMILES notation for [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea?
The canonical SMILES for [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea is C[C@@H]1SCCN(C(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccccc1.
What is the InChIKey of [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea?
The InChIKey is SSJAOYCEAUVZQS-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-13(12-5-3-2-4-6-12)19(9-10-22-11)14(20)16(7-8-16)18-15(17)21/h2-6,11,13H,7-10H2,1H3,(H3,17,18,21)/t11-,13-/m0/s1.
What are the key properties of [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea?
[1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea has a molecular weight of 319.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea is sourced from PubChem (CID 124589130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).