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

C15H29N3S — CID 103975342

IUPAC1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea
SMILESCN1CCC(C)(CNC(=S)NC2CCCCC2)CC1
InChIInChI=1S/C15H29N3S/c1-15(8-10-18(2)11-9-15)12-16-14(19)17-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H2,16,17,19)
InChIKeyYRGZWLQRCKPZLR-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.52
Rot. Bonds3

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

1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea (PubChem CID 103975342) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea
PubChem CID103975342
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea
SMILESCN1CCC(C)(CNC(=S)NC2CCCCC2)CC1
InChIInChI=1S/C15H29N3S/c1-15(8-10-18(2)11-9-15)12-16-14(19)17-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H2,16,17,19)
InChIKeyYRGZWLQRCKPZLR-UHFFFAOYSA-N
XLogP2.52
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-propan-2-ylthiourea
CID 103975349
1-cyclohexyl-3-[(1-methylsulfanylcyclopropyl)methyl]thiourea
CID 107265764
1-cyclohexyl-3-[(1R,3S)-3-[(cyclohexylcarbamothioylamino)methyl]-3,5,5-trimethylcyclohexyl]thiourea
CID 101410739
1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 9097915
1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 113360608
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
CID 115620804
3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 107163347
1-cyclooctyl-3-propylthiourea
CID 19650537
3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107164990
2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107165231

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea (CID 103975342) is 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea is CN1CCC(C)(CNC(=S)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea?
The InChIKey is YRGZWLQRCKPZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-15(8-10-18(2)11-9-15)12-16-14(19)17-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea?
1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea has a molecular weight of 283.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea is sourced from PubChem (CID 103975342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).