1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide

C14H24N2O2S — CID 107392678

IUPAC1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
SMILESCOC1(C)CCCN(C(=O)C2(C(N)=S)CCCC2)C1
InChIInChI=1S/C14H24N2O2S/c1-13(18-2)6-5-9-16(10-13)12(17)14(11(15)19)7-3-4-8-14/h3-10H2,1-2H3,(H2,15,19)
InChIKeyMQMSMFBNSZOGRF-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.86
Rot. Bonds3

About 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide

1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide (PubChem CID 107392678) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
PubChem CID107392678
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
SMILESCOC1(C)CCCN(C(=O)C2(C(N)=S)CCCC2)C1
InChIInChI=1S/C14H24N2O2S/c1-13(18-2)6-5-9-16(10-13)12(17)14(11(15)19)7-3-4-8-14/h3-10H2,1-2H3,(H2,15,19)
InChIKeyMQMSMFBNSZOGRF-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 126980533
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide
CID 102743896
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
azetidin-3-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392334
1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide
CID 103356137
3-methoxy-N',3-dimethylpiperidine-1-carboximidamide
CID 107393147
1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 107392439
1-(3-methoxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 107390999
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395949
2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 107395946

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide (CID 107392678) is 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide is COC1(C)CCCN(C(=O)C2(C(N)=S)CCCC2)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide?
The InChIKey is MQMSMFBNSZOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-13(18-2)6-5-9-16(10-13)12(17)14(11(15)19)7-3-4-8-14/h3-10H2,1-2H3,(H2,15,19).
What are the key properties of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide?
1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide has a molecular weight of 284.42 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 107392678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).