1-cycloheptyl-3-(3-methylphenyl)thiourea

C15H22N2S — CID 8627954

IUPAC1-cycloheptyl-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)NC2CCCCCC2)c1
InChIInChI=1S/C15H22N2S/c1-12-7-6-10-14(11-12)17-15(18)16-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,17,18)
InChIKeyKUZLNFKHXAXMIF-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.00
Rot. Bonds2

About 1-cycloheptyl-3-(3-methylphenyl)thiourea

1-cycloheptyl-3-(3-methylphenyl)thiourea (PubChem CID 8627954) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-cycloheptyl-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-cycloheptyl-3-(3-methylphenyl)thiourea
PubChem CID8627954
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-cycloheptyl-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)NC2CCCCCC2)c1
InChIInChI=1S/C15H22N2S/c1-12-7-6-10-14(11-12)17-15(18)16-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,17,18)
InChIKeyKUZLNFKHXAXMIF-UHFFFAOYSA-N
XLogP4.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.00
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-cyclooctyl-3-(3,5-dimethylphenyl)thiourea
CID 19650518
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3-methylphenyl)thiourea
CID 43075817
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557
1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclopentyl-3-(3-methylsulfanylphenyl)thiourea
CID 116507255
1-(1,1-dioxothiolan-3-yl)-3-(3-methylphenyl)thiourea
CID 3752369
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-cyclooctyl-3-(2,5-dimethylphenyl)thiourea
CID 19650520
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
CID 24614846

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-cycloheptyl-3-(3-methylphenyl)thiourea (CID 8627954) is 1-cycloheptyl-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-cycloheptyl-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-cycloheptyl-3-(3-methylphenyl)thiourea is Cc1cccc(NC(=S)NC2CCCCCC2)c1.
What is the InChIKey of 1-cycloheptyl-3-(3-methylphenyl)thiourea?
The InChIKey is KUZLNFKHXAXMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-12-7-6-10-14(11-12)17-15(18)16-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-cycloheptyl-3-(3-methylphenyl)thiourea?
1-cycloheptyl-3-(3-methylphenyl)thiourea has a molecular weight of 262.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 8627954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).