1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea

C14H26N4S2 — CID 970284

IUPAC1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea
SMILESS=C(NNC(=S)NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H26N4S2/c19-13(15-11-7-3-1-4-8-11)17-18-14(20)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,15,17,19)(H2,16,18,20)
InChIKeyVHOLTWYELLCBAL-UHFFFAOYSA-N
MW314.52 g/mol
LogP2.49
Rot. Bonds2

About 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea

1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea (PubChem CID 970284) has the molecular formula C14H26N4S2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea
PubChem CID970284
Molecular FormulaC14H26N4S2
Molecular Weight314.52 g/mol
Exact Mass314.16
IUPAC Name1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea
SMILESS=C(NNC(=S)NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H26N4S2/c19-13(15-11-7-3-1-4-8-11)17-18-14(20)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,15,17,19)(H2,16,18,20)
InChIKeyVHOLTWYELLCBAL-UHFFFAOYSA-N
XLogP2.49
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexylthiosemicarbazide
CID 722813
n-Cyclohexyl-2,2-dimethylhydrazine-1-carbothioamide
CID 2307646
[(Diethylamino)amino](cyclohexylamino)methane-1-thione
CID 674715
(Cyclohexylcarbamothioylamino)urea
CID 2422680
3-Amino-1-{6-[(aminocarbamothioyl)amino]hexyl}thiourea
CID 4311815
1-Cyclohexyl-3-(methylamino)thiourea
CID 12869138
1-Amino-3-(4-aminocyclohexyl)-1-methylthiourea
CID 57559054
1-(Cyclohexylamino)-6-methyl-1,3,5-triazinane-2,4-dithione
CID 88660718
1-(Dicyclohexylamino)-3-methylthiourea
CID 141692701
1-Cyclohexyl-3-(methyliodanuidylamino)thiourea
CID 164083780
N~1~-cyclohexyl-N~2~-methyl-1,2-hydrazinedicarbothioamide
CID 2729580
Amino{2-[(cyclohexylamino)thioxomethyl]hydrazino}methane-1-thione
CID 3658875

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea (CID 970284) is 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea is S=C(NNC(=S)NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea?
The InChIKey is VHOLTWYELLCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S2/c19-13(15-11-7-3-1-4-8-11)17-18-14(20)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,15,17,19)(H2,16,18,20).
What are the key properties of 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea?
1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea has a molecular weight of 314.52 g/mol, XLogP of 2.49, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclohexylcarbamothioylamino)thiourea is sourced from PubChem (CID 970284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).