1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea

C18H34N4OS — CID 9411492

IUPAC1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCC(C)(C)C1CCC(=NNC(=S)NCCCN2CCOCC2)CC1
InChIInChI=1S/C18H34N4OS/c1-18(2,3)15-5-7-16(8-6-15)20-21-17(24)19-9-4-10-22-11-13-23-14-12-22/h15H,4-14H2,1-3H3,(H2,19,21,24)/b20-16-
InChIKeyYKZVHRIEDWPTMF-SILNSSARSA-N
MW354.56 g/mol
LogP2.77
Rot. Bonds5

About 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea

1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 9411492) has the molecular formula C18H34N4OS and a molecular weight of 354.56 g/mol. Its IUPAC name is 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID9411492
Molecular FormulaC18H34N4OS
Molecular Weight354.56 g/mol
Exact Mass354.25
IUPAC Name1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCC(C)(C)C1CCC(=NNC(=S)NCCCN2CCOCC2)CC1
InChIInChI=1S/C18H34N4OS/c1-18(2,3)15-5-7-16(8-6-15)20-21-17(24)19-9-4-10-22-11-13-23-14-12-22/h15H,4-14H2,1-3H3,(H2,19,21,24)/b20-16-
InChIKeyYKZVHRIEDWPTMF-SILNSSARSA-N
XLogP2.77
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9257800
1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
CID 43384725
tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
CID 9411582
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403
1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 8668510
1-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9147403
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide
CID 43384645
1-(3-morpholin-4-ylpropyl)-3-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]thiourea
CID 9257772
1-(3-morpholin-4-ylpropyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 9411411

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea (CID 9411492) is 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea is CC(C)(C)C1CCC(=NNC(=S)NCCCN2CCOCC2)CC1.
What is the InChIKey of 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is YKZVHRIEDWPTMF-SILNSSARSA-N. The full InChI is InChI=1S/C18H34N4OS/c1-18(2,3)15-5-7-16(8-6-15)20-21-17(24)19-9-4-10-22-11-13-23-14-12-22/h15H,4-14H2,1-3H3,(H2,19,21,24)/b20-16-.
What are the key properties of 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 354.56 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 9411492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).