1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea

C14H28N4S — CID 115620804

IUPAC1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
SMILESCN1CCN(C)C(CNC(=S)NC2CCCCC2)C1
InChIInChI=1S/C14H28N4S/c1-17-8-9-18(2)13(11-17)10-15-14(19)16-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H2,15,16,19)
InChIKeyRIGQWONCWZEORQ-UHFFFAOYSA-N
MW284.47 g/mol
LogP1.03
Rot. Bonds3

About 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea

1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea (PubChem CID 115620804) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
PubChem CID115620804
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC Name1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
SMILESCN1CCN(C)C(CNC(=S)NC2CCCCC2)C1
InChIInChI=1S/C14H28N4S/c1-17-8-9-18(2)13(11-17)10-15-14(19)16-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H2,15,16,19)
InChIKeyRIGQWONCWZEORQ-UHFFFAOYSA-N
XLogP1.03
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 113234145
1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 9097915
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 63898166
1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea
CID 103975342
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea
CID 115590134
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-(4-cyclohexylbutan-2-yl)-3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylguanidine
CID 109482812
1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea
CID 97212414
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
CID 63899029
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 115414611

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea (CID 115620804) is 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea is CN1CCN(C)C(CNC(=S)NC2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea?
The InChIKey is RIGQWONCWZEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-17-8-9-18(2)13(11-17)10-15-14(19)16-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea?
1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea has a molecular weight of 284.47 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea is sourced from PubChem (CID 115620804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).