1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea

C17H23N3S — CID 708932

IUPAC1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea
SMILESS=C(NCCc1c[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C17H23N3S/c21-17(20-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h4-5,8-9,12,14,19H,1-3,6-7,10-11H2,(H2,18,20,21)
InChIKeyBSMSTXNZZWTSPB-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.51
Rot. Bonds4

About 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea

1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea (PubChem CID 708932) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea
PubChem CID708932
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea
SMILESS=C(NCCc1c[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C17H23N3S/c21-17(20-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h4-5,8-9,12,14,19H,1-3,6-7,10-11H2,(H2,18,20,21)
InChIKeyBSMSTXNZZWTSPB-UHFFFAOYSA-N
XLogP3.51
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indole
CID 798
N,N-Dimethyltryptamine
CID 6089
Skatole
CID 6736
Tryptamine
CID 1150
Gramine
CID 6890
Lisuride
CID 28864
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
(-)-Agroclavine
CID 73484
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea (CID 708932) is 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea is S=C(NCCc1c[nH]c2ccccc12)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The InChIKey is BSMSTXNZZWTSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c21-17(20-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h4-5,8-9,12,14,19H,1-3,6-7,10-11H2,(H2,18,20,21).
What are the key properties of 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea?
1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea has a molecular weight of 301.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(1H-indol-3-yl)ethyl]thiourea is sourced from PubChem (CID 708932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).