1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea

C15H27N3OS — CID 4569761

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea
SMILESCNC(=S)N(CCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C15H27N3OS/c1-16-15(20)18(13-14-5-3-2-4-6-14)8-7-17-9-11-19-12-10-17/h2-3,14H,4-13H2,1H3,(H,16,20)
InChIKeyBDQIAJWTACZWRN-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.48
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea

1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea (PubChem CID 4569761) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea
PubChem CID4569761
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea
SMILESCNC(=S)N(CCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C15H27N3OS/c1-16-15(20)18(13-14-5-3-2-4-6-14)8-7-17-9-11-19-12-10-17/h2-3,14H,4-13H2,1H3,(H,16,20)
InChIKeyBDQIAJWTACZWRN-UHFFFAOYSA-N
XLogP1.48
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 28922685
1-(cyclohex-3-en-1-ylmethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 5067136
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(2,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 28875101
3-(4-chloro-3-methylphenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 3454816
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 29080135
1-(cyclohex-3-en-1-ylmethyl)-3-(3-methylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4129726
N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053079
1-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyl-1-(3-imidazol-1-ylpropyl)thiourea
CID 3326310
N-(cyclohex-3-en-1-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 42780839
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)thiourea
CID 1137331
3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 4188209
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine
CID 97159967

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea (CID 4569761) is 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea is CNC(=S)N(CCN1CCOCC1)CC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is BDQIAJWTACZWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-16-15(20)18(13-14-5-3-2-4-6-14)8-7-17-9-11-19-12-10-17/h2-3,14H,4-13H2,1H3,(H,16,20).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea?
1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 297.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 4569761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).