1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea

C16H24N2O2S — CID 71858486

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea
SMILESCSC(C)c1cccc(NC(=O)NC(C)(CO)C2CC2)c1
InChIInChI=1S/C16H24N2O2S/c1-11(21-3)12-5-4-6-14(9-12)17-15(20)18-16(2,10-19)13-7-8-13/h4-6,9,11,13,19H,7-8,10H2,1-3H3,(H2,17,18,20)
InChIKeyGDUMKCXAJJOTPD-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea (PubChem CID 71858486) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea
PubChem CID71858486
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea
SMILESCSC(C)c1cccc(NC(=O)NC(C)(CO)C2CC2)c1
InChIInChI=1S/C16H24N2O2S/c1-11(21-3)12-5-4-6-14(9-12)17-15(20)18-16(2,10-19)13-7-8-13/h4-6,9,11,13,19H,7-8,10H2,1-3H3,(H2,17,18,20)
InChIKeyGDUMKCXAJJOTPD-UHFFFAOYSA-N
XLogP3.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea
CID 111976343
1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
CID 129422282
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(1R)-2-methylsulfanyl-1-phenylethyl]urea
CID 97321334
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]urea
CID 71858476
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
CID 61408631
1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976246
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785834

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea (CID 71858486) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea is CSC(C)c1cccc(NC(=O)NC(C)(CO)C2CC2)c1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea?
The InChIKey is GDUMKCXAJJOTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(21-3)12-5-4-6-14(9-12)17-15(20)18-16(2,10-19)13-7-8-13/h4-6,9,11,13,19H,7-8,10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea has a molecular weight of 308.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea is sourced from PubChem (CID 71858486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).