1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea

C19H24N2S — CID 8724805

IUPAC1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
SMILESC[C@H](NC(=S)NC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C19H24N2S/c1-14(20-19(22)21-16-10-3-2-4-11-16)17-13-7-9-15-8-5-6-12-18(15)17/h5-9,12-14,16H,2-4,10-11H2,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyZYYQGVXLLNVAFL-AWEZNQCLSA-N
MW312.48 g/mol
LogP4.70
Rot. Bonds3

About 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea

1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea (PubChem CID 8724805) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
PubChem CID8724805
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
SMILESC[C@H](NC(=S)NC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C19H24N2S/c1-14(20-19(22)21-16-10-3-2-4-11-16)17-13-7-9-15-8-5-6-12-18(15)17/h5-9,12-14,16H,2-4,10-11H2,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyZYYQGVXLLNVAFL-AWEZNQCLSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.70
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-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
CID 724020
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
CID 3003559
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987
1-(4-methylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8657829
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8911226
1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724859
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea (CID 8724805) is 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea is C[C@H](NC(=S)NC1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea?
The InChIKey is ZYYQGVXLLNVAFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2S/c1-14(20-19(22)21-16-10-3-2-4-11-16)17-13-7-9-15-8-5-6-12-18(15)17/h5-9,12-14,16H,2-4,10-11H2,1H3,(H2,20,21,22)/t14-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea?
1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea has a molecular weight of 312.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea is sourced from PubChem (CID 8724805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).