1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea

C15H22N2O3S — CID 163760094

IUPAC1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea
SMILESCC(C)CNC(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22N2O3S/c1-11(2)10-16-15(18)17-21(19,20)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,16,17,18)
InChIKeyLXLUTMFWSPJANZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.21
Rot. Bonds4

About 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea

1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea (PubChem CID 163760094) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea
PubChem CID163760094
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea
SMILESCC(C)CNC(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22N2O3S/c1-11(2)10-16-15(18)17-21(19,20)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,16,17,18)
InChIKeyLXLUTMFWSPJANZ-UHFFFAOYSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea
CID 154175868
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N-(2-methylpropyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062251
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9257896
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107158218

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea (CID 163760094) is 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea is CC(C)CNC(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea?
The InChIKey is LXLUTMFWSPJANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)10-16-15(18)17-21(19,20)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea?
1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea has a molecular weight of 310.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea is sourced from PubChem (CID 163760094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).