1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea

C14H16N2O2S — CID 51686352

IUPAC1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
SMILESC[S@@](=O)CCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H16N2O2S/c1-19(18)10-9-15-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H2,15,16,17)/t19-/m1/s1
InChIKeyWDLNBCSFGRPQNG-LJQANCHMSA-N
MW276.36 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea

1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea (PubChem CID 51686352) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
PubChem CID51686352
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
SMILESC[S@@](=O)CCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H16N2O2S/c1-19(18)10-9-15-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H2,15,16,17)/t19-/m1/s1
InChIKeyWDLNBCSFGRPQNG-LJQANCHMSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846
1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
CID 134347050

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea (CID 51686352) is 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea is C[S@@](=O)CCNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea?
The InChIKey is WDLNBCSFGRPQNG-LJQANCHMSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-19(18)10-9-15-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H2,15,16,17)/t19-/m1/s1.
What are the key properties of 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea?
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea has a molecular weight of 276.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 51686352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).