1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea

C13H24N4OS2 — CID 872977

IUPAC1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea
SMILESO=C(CN1CCSCC1)NNC(=S)NC1CCCCC1
InChIInChI=1S/C13H24N4OS2/c18-12(10-17-6-8-20-9-7-17)15-16-13(19)14-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,18)(H2,14,16,19)
InChIKeySKARGJDXMXQSEZ-UHFFFAOYSA-N
MW316.50 g/mol
LogP0.86
Rot. Bonds3

About 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea

1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea (PubChem CID 872977) has the molecular formula C13H24N4OS2 and a molecular weight of 316.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea
PubChem CID872977
Molecular FormulaC13H24N4OS2
Molecular Weight316.50 g/mol
Exact Mass316.14
IUPAC Name1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea
SMILESO=C(CN1CCSCC1)NNC(=S)NC1CCCCC1
InChIInChI=1S/C13H24N4OS2/c18-12(10-17-6-8-20-9-7-17)15-16-13(19)14-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,18)(H2,14,16,19)
InChIKeySKARGJDXMXQSEZ-UHFFFAOYSA-N
XLogP0.86
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 106325042
1-cyclopentyl-3-(propanoylamino)thiourea
CID 17372527
1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
CID 24644179
N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860953
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 163352501
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
N-cyclopentylthiomorpholine-4-carboxamide
CID 115582925

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea (CID 872977) is 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea is O=C(CN1CCSCC1)NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea?
The InChIKey is SKARGJDXMXQSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS2/c18-12(10-17-6-8-20-9-7-17)15-16-13(19)14-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,18)(H2,14,16,19).
What are the key properties of 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea?
1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea has a molecular weight of 316.50 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea is sourced from PubChem (CID 872977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).