1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea

C15H30N4S — CID 9097915

IUPAC1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
SMILESCN1CCN(CCCNC(=S)NC2CCCCC2)CC1
InChIInChI=1S/C15H30N4S/c1-18-10-12-19(13-11-18)9-5-8-16-15(20)17-14-6-3-2-4-7-14/h14H,2-13H2,1H3,(H2,16,17,20)
InChIKeyLFRXHEBOPAOXJT-UHFFFAOYSA-N
MW298.50 g/mol
LogP1.42
Rot. Bonds5

About 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea

1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea (PubChem CID 9097915) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
PubChem CID9097915
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC Name1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
SMILESCN1CCN(CCCNC(=S)NC2CCCCC2)CC1
InChIInChI=1S/C15H30N4S/c1-18-10-12-19(13-11-18)9-5-8-16-15(20)17-14-6-3-2-4-7-14/h14H,2-13H2,1H3,(H2,16,17,20)
InChIKeyLFRXHEBOPAOXJT-UHFFFAOYSA-N
XLogP1.42
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-cyclohexyl-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine
CID 110957964
1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 12761702
1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 106325042
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea
CID 103975342
1-cyclopentyl-3-heptylthiourea
CID 19650876
1-(3-ethoxypropyl)-3-(1-methylpiperidin-4-yl)thiourea
CID 115573046
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
CID 115620804
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea (CID 9097915) is 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea is CN1CCN(CCCNC(=S)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea?
The InChIKey is LFRXHEBOPAOXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-18-10-12-19(13-11-18)9-5-8-16-15(20)17-14-6-3-2-4-7-14/h14H,2-13H2,1H3,(H2,16,17,20).
What are the key properties of 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea?
1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea has a molecular weight of 298.50 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea is sourced from PubChem (CID 9097915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).