1-cyclopentyl-3-(methylcarbamothioylamino)thiourea

C8H16N4S2 — CID 8789272

IUPAC1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
SMILESCNC(=S)NNC(=S)NC1CCCC1
InChIInChI=1S/C8H16N4S2/c1-9-7(13)11-12-8(14)10-6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,9,11,13)(H2,10,12,14)
InChIKeyCIVVAMVNHXSZTQ-UHFFFAOYSA-N
MW232.38 g/mol
LogP0.40
Rot. Bonds1

About 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea

1-cyclopentyl-3-(methylcarbamothioylamino)thiourea (PubChem CID 8789272) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
PubChem CID8789272
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC Name1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
SMILESCNC(=S)NNC(=S)NC1CCCC1
InChIInChI=1S/C8H16N4S2/c1-9-7(13)11-12-8(14)10-6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,9,11,13)(H2,10,12,14)
InChIKeyCIVVAMVNHXSZTQ-UHFFFAOYSA-N
XLogP0.40
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 50.40
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

1-cyclopentyl-3-(propanoylamino)thiourea
CID 17372527
1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
CID 24644179
ethyl N-(cyclohexylcarbamothioylamino)carbamate
CID 2743224
1-cyclohexyl-3-(3-methylbutylcarbamothioylamino)thiourea
CID 8789664
2-(cyclopentylcarbamothioylamino)-N-methylacetamide
CID 116507386
1-(7-bicyclo[4.1.0]heptanyl)-3-methylthiourea
CID 131150502
1-methyl-3-(1-methylpiperidin-3-yl)thiourea
CID 115590131
1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea
CID 30002190
1-cyclopentyl-3-(1-methylcyclopentyl)thiourea
CID 116508968
1-(4-chlorophenyl)-3-(cyclopentylcarbamothioylamino)thiourea
CID 971925
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781
1-cyclooctyl-3-propylthiourea
CID 19650537

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea?
The IUPAC name of 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea (CID 8789272) is 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea is CNC(=S)NNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea?
The InChIKey is CIVVAMVNHXSZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S2/c1-9-7(13)11-12-8(14)10-6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,9,11,13)(H2,10,12,14).
What are the key properties of 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea?
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea has a molecular weight of 232.38 g/mol, XLogP of 0.40, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(methylcarbamothioylamino)thiourea is sourced from PubChem (CID 8789272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).