N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide

C16H24N2OS — CID 3869336

IUPACN-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide
SMILESCCCCc1ccc(NC(=S)N2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2OS/c1-3-4-5-14-6-7-15(13(2)12-14)17-16(20)18-8-10-19-11-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,20)
InChIKeyDREPDQFJPOQQHL-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.37
Rot. Bonds4

About N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide

N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide (PubChem CID 3869336) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide
PubChem CID3869336
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide
SMILESCCCCc1ccc(NC(=S)N2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2OS/c1-3-4-5-14-6-7-15(13(2)12-14)17-16(20)18-8-10-19-11-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,20)
InChIKeyDREPDQFJPOQQHL-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide
CID 23881732
N-(4-butyl-2-methylphenyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide
CID 3686007
N-(4-butyl-2-methylphenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbothioamide
CID 3358801
N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
CID 23964750
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
2-(4-butyl-2-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168606487
N-(2,4-dimethylphenyl)-4-ethylpiperazine-1-carbothioamide
CID 19654847
N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894
1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
CID 8624605
N-(2-ethoxyphenyl)morpholine-4-carbothioamide
CID 3863223
1-[1-(4-bromophenyl)ethyl]-3-(4-butyl-2-methylphenyl)thiourea
CID 3843357
1-(4-butyl-2-methylphenyl)-3-[(2,4-dichlorophenyl)methyl]thiourea
CID 3683880

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide (CID 3869336) is N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide is CCCCc1ccc(NC(=S)N2CCOCC2)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide?
The InChIKey is DREPDQFJPOQQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-4-5-14-6-7-15(13(2)12-14)17-16(20)18-8-10-19-11-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide?
N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 3869336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).