1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C15H18N2O3S — CID 125174611

IUPAC1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C15H18N2O3S/c18-15(16-12-8-9-21(19,20)10-12)17-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7-9,12H,1-2,4,6,10H2,(H2,16,17,18)/t12-/m1/s1
InChIKeyFWIYZAVEMIAPNR-GFCCVEGCSA-N
MW306.39 g/mol
LogP2.00
Rot. Bonds2

About 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 125174611) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID125174611
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C15H18N2O3S/c18-15(16-12-8-9-21(19,20)10-12)17-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7-9,12H,1-2,4,6,10H2,(H2,16,17,18)/t12-/m1/s1
InChIKeyFWIYZAVEMIAPNR-GFCCVEGCSA-N
XLogP2.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111631432
1-(3-aminophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 102566887
1-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(2-ethyl-3-methyl-1-benzofuran-7-yl)urea
CID 126437311
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
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CID 178170556
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
4-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 62238146
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 125174611) is 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(Nc1cccc2c1CCCC2)N[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is FWIYZAVEMIAPNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-15(16-12-8-9-21(19,20)10-12)17-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7-9,12H,1-2,4,6,10H2,(H2,16,17,18)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 306.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 125174611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).