1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide

C13H25N3OS — CID 79172211

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
SMILESCCN1CCOC(CN2CCC(C(N)=S)CC2)C1
InChIInChI=1S/C13H25N3OS/c1-2-15-7-8-17-12(9-15)10-16-5-3-11(4-6-16)13(14)18/h11-12H,2-10H2,1H3,(H2,14,18)
InChIKeyKSZSSQLUCUMJPM-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.71
Rot. Bonds4

About 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide

1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide (PubChem CID 79172211) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
PubChem CID79172211
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
SMILESCCN1CCOC(CN2CCC(C(N)=S)CC2)C1
InChIInChI=1S/C13H25N3OS/c1-2-15-7-8-17-12(9-15)10-16-5-3-11(4-6-16)13(14)18/h11-12H,2-10H2,1H3,(H2,14,18)
InChIKeyKSZSSQLUCUMJPM-UHFFFAOYSA-N
XLogP0.71
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
CID 79171844
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
3-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81460895
[1-[(4-ethylmorpholin-2-yl)methyl]-4-methylpiperidin-4-yl]methanamine
CID 107160487
3-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]azetidin-3-amine
CID 79182409
1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 79171537
2,4-diethylmorpholine
CID 58988021
1-[1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-4-yl]ethanamine
CID 63595361
3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 79171517
N-[[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114400294

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide (CID 79172211) is 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide is CCN1CCOC(CN2CCC(C(N)=S)CC2)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide?
The InChIKey is KSZSSQLUCUMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-2-15-7-8-17-12(9-15)10-16-5-3-11(4-6-16)13(14)18/h11-12H,2-10H2,1H3,(H2,14,18).
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide?
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide has a molecular weight of 271.43 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide is sourced from PubChem (CID 79172211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).