4-(4-phenylbutyl)morpholine-2-carbothioamide

C15H22N2OS — CID 114333646

IUPAC4-(4-phenylbutyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CCCCc2ccccc2)CCO1
InChIInChI=1S/C15H22N2OS/c16-15(19)14-12-17(10-11-18-14)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,16,19)
InChIKeyCGYIUWBGKUCMGL-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.00
Rot. Bonds6

About 4-(4-phenylbutyl)morpholine-2-carbothioamide

4-(4-phenylbutyl)morpholine-2-carbothioamide (PubChem CID 114333646) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(4-phenylbutyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(4-phenylbutyl)morpholine-2-carbothioamide
PubChem CID114333646
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name4-(4-phenylbutyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CCCCc2ccccc2)CCO1
InChIInChI=1S/C15H22N2OS/c16-15(19)14-12-17(10-11-18-14)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,16,19)
InChIKeyCGYIUWBGKUCMGL-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
CID 79681239
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
4-(3-hydroxypropyl)morpholine-2-carbothioamide
CID 79681555
4-nonylmorpholine-2-carbothioamide
CID 79681304
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
4-[(4-iodophenyl)methyl]morpholine-2-carbothioamide
CID 79680838
N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
CID 114333754
4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
CID 79680850
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbutyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(4-phenylbutyl)morpholine-2-carbothioamide (CID 114333646) is 4-(4-phenylbutyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(4-phenylbutyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(4-phenylbutyl)morpholine-2-carbothioamide is NC(=S)C1CN(CCCCc2ccccc2)CCO1.
What is the InChIKey of 4-(4-phenylbutyl)morpholine-2-carbothioamide?
The InChIKey is CGYIUWBGKUCMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-15(19)14-12-17(10-11-18-14)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,16,19).
What are the key properties of 4-(4-phenylbutyl)morpholine-2-carbothioamide?
4-(4-phenylbutyl)morpholine-2-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutyl)morpholine-2-carbothioamide is sourced from PubChem (CID 114333646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).