1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea

C11H19N3OS — CID 24644179

IUPAC1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
SMILESO=C(NNC(=S)NC1CCCCC1)C1CC1
InChIInChI=1S/C11H19N3OS/c15-10(8-6-7-8)13-14-11(16)12-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,15)(H2,12,14,16)
InChIKeyJRWNSZCIRYULFT-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.22
Rot. Bonds2

About 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea

1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea (PubChem CID 24644179) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
PubChem CID24644179
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
SMILESO=C(NNC(=S)NC1CCCCC1)C1CC1
InChIInChI=1S/C11H19N3OS/c15-10(8-6-7-8)13-14-11(16)12-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,15)(H2,12,14,16)
InChIKeyJRWNSZCIRYULFT-UHFFFAOYSA-N
XLogP1.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
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-(cyclobutanecarbonylamino)-3-cyclopropylthiourea
CID 30002190
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
1-cyclopentyl-3-(propanoylamino)thiourea
CID 17372527
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
1-(cyclohexanecarbonylamino)-3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946131
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
ethyl N-(cyclohexylcarbamothioylamino)carbamate
CID 2743224

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea (CID 24644179) is 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea is O=C(NNC(=S)NC1CCCCC1)C1CC1.
What is the InChIKey of 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea?
The InChIKey is JRWNSZCIRYULFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c15-10(8-6-7-8)13-14-11(16)12-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,15)(H2,12,14,16).
What are the key properties of 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea?
1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea has a molecular weight of 241.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea is sourced from PubChem (CID 24644179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).