1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea

C15H22N2S — CID 7744929

IUPAC1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCCCCNC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C15H22N2S/c1-2-3-11-16-15(18)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,2-3,6,8,10-11H2,1H3,(H2,16,17,18)/t14-/m1/s1
InChIKeyXDICHCFPTIOMOZ-CQSZACIVSA-N
MW262.42 g/mol
LogP3.33
Rot. Bonds4

About 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea

1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (PubChem CID 7744929) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.

Molecular Properties

Compound Name1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
PubChem CID7744929
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCCCCNC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C15H22N2S/c1-2-3-11-16-15(18)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,2-3,6,8,10-11H2,1H3,(H2,16,17,18)/t14-/m1/s1
InChIKeyXDICHCFPTIOMOZ-CQSZACIVSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669343
1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 4997238
1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 62304428
3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42698686
1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652717
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[4-(tritiomethyl)phenyl]methyl]thiourea
CID 59088084
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42954663
1-(1-methoxypropan-2-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 46800324
1-(4-chlorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669333
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The IUPAC name of 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (CID 7744929) is 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.
What is the SMILES notation for 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The canonical SMILES for 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is CCCCNC(=S)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The InChIKey is XDICHCFPTIOMOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-3-11-16-15(18)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,2-3,6,8,10-11H2,1H3,(H2,16,17,18)/t14-/m1/s1.
What are the key properties of 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea has a molecular weight of 262.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is sourced from PubChem (CID 7744929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).