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

C14H20N2S — CID 8669343

IUPAC1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCCCNC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C14H20N2S/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13H,2,5,7,9-10H2,1H3,(H2,15,16,17)/t13-/m1/s1
InChIKeyNNDKPVQINXVMHC-CYBMUJFWSA-N
MW248.39 g/mol
LogP2.94
Rot. Bonds3

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

1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (PubChem CID 8669343) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.

Molecular Properties

Compound Name1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
PubChem CID8669343
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCCCNC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C14H20N2S/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13H,2,5,7,9-10H2,1H3,(H2,15,16,17)/t13-/m1/s1
InChIKeyNNDKPVQINXVMHC-CYBMUJFWSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 7744929
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
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
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
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 2441518
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamothioylamino]ethyl 2-methylbutanoate
CID 87629635

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The IUPAC name of 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (CID 8669343) is 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.
What is the SMILES notation for 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The canonical SMILES for 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is CCCNC(=S)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The InChIKey is NNDKPVQINXVMHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13H,2,5,7,9-10H2,1H3,(H2,15,16,17)/t13-/m1/s1.
What are the key properties of 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea has a molecular weight of 248.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is sourced from PubChem (CID 8669343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).