1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

C14H27N4OS+ — CID 7934144

IUPAC1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SMILESS=C(NCC[NH+]1CCOCC1)NN=C1CCCCCC1
InChIInChI=1S/C14H26N4OS/c20-14(15-7-8-18-9-11-19-12-10-18)17-16-13-5-3-1-2-4-6-13/h1-12H2,(H2,15,17,20)/p+1
InChIKeyUXQRTOUWOQCTBN-UHFFFAOYSA-O
MW299.46 g/mol
LogP0.08
Rot. Bonds4

About 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea (PubChem CID 7934144) has the molecular formula C14H27N4OS+ and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
PubChem CID7934144
Molecular FormulaC14H27N4OS+
Molecular Weight299.46 g/mol
Exact Mass299.19
IUPAC Name1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SMILESS=C(NCC[NH+]1CCOCC1)NN=C1CCCCCC1
InChIInChI=1S/C14H26N4OS/c20-14(15-7-8-18-9-11-19-12-10-18)17-16-13-5-3-1-2-4-6-13/h1-12H2,(H2,15,17,20)/p+1
InChIKeyUXQRTOUWOQCTBN-UHFFFAOYSA-O
XLogP0.08
TPSA50.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(Cycloheptylideneamino)-3-(2-methoxyethyl)thiourea
CID 4175604
1-[(Z)-butan-2-ylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934132
1-[(Z)-butan-2-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 7934133
1-[(4-Methylcyclohexylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934140
1-[(4-Methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea
CID 7934141
1-(Cycloheptylideneamino)-3-(2-morpholin-4-ylethyl)thiourea
CID 7934145
1-(Cyclopentylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934150
1-(Cyclopentylideneamino)-3-(2-morpholin-4-ylethyl)thiourea
CID 7934151
1-(2,6-Dimethylheptan-4-ylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934164
1-(2,6-Dimethylheptan-4-ylideneamino)-3-(2-morpholin-4-ylethyl)thiourea
CID 7934165
1-(2-Morpholin-4-ium-4-ylethyl)-3-(pentan-3-ylideneamino)thiourea
CID 7934182
1-(2-Morpholin-4-ylethyl)-3-(pentan-3-ylideneamino)thiourea
CID 7934183

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The IUPAC name of 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea (CID 7934144) is 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea.
What is the SMILES notation for 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The canonical SMILES for 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea is S=C(NCC[NH+]1CCOCC1)NN=C1CCCCCC1.
What is the InChIKey of 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The InChIKey is UXQRTOUWOQCTBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N4OS/c20-14(15-7-8-18-9-11-19-12-10-18)17-16-13-5-3-1-2-4-6-13/h1-12H2,(H2,15,17,20)/p+1.
What are the key properties of 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea has a molecular weight of 299.46 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea is sourced from PubChem (CID 7934144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).