1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea

C15H22N2O2S — CID 99829371

IUPAC1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
SMILESC[C@@H](C[S@](C)=O)NC(=O)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-11(10-20(2)19)17-15(18)16-9-12-3-5-13(6-4-12)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H2,16,17,18)/t11-,20-/m0/s1
InChIKeyGUDGIVKLCYKVEL-YBTHPKLGSA-N
MW294.42 g/mol
LogP2.13
Rot. Bonds6

About 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea

1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea (PubChem CID 99829371) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
PubChem CID99829371
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
SMILESC[C@@H](C[S@](C)=O)NC(=O)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-11(10-20(2)19)17-15(18)16-9-12-3-5-13(6-4-12)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H2,16,17,18)/t11-,20-/m0/s1
InChIKeyGUDGIVKLCYKVEL-YBTHPKLGSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-cyclopropylphenyl)methyl]-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99829374
N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
CID 119047540
1-[(4-cyclohexylphenyl)methyl]-3-methylurea
CID 115169108
4-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]benzoic acid
CID 63996546
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 97351085
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886257
N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
1-[(2-chloro-6-methoxyphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99829367

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea (CID 99829371) is 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea.
What is the SMILES notation for 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The canonical SMILES for 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea is C[C@@H](C[S@](C)=O)NC(=O)NCc1ccc(C2CC2)cc1.
What is the InChIKey of 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The InChIKey is GUDGIVKLCYKVEL-YBTHPKLGSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(10-20(2)19)17-15(18)16-9-12-3-5-13(6-4-12)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H2,16,17,18)/t11-,20-/m0/s1.
What are the key properties of 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea has a molecular weight of 294.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea is sourced from PubChem (CID 99829371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).