4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide

C14H24N2O2S — CID 104967489

IUPAC4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)C1(C(N)=S)CCOCC1
InChIInChI=1S/C14H24N2O2S/c1-10-4-3-5-11(2)16(10)13(17)14(12(15)19)6-8-18-9-7-14/h10-11H,3-9H2,1-2H3,(H2,15,19)/t10-,11+
InChIKeyDNTMSWBGAKWHSY-PHIMTYICSA-N
MW284.43 g/mol
LogP1.86
Rot. Bonds2

About 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide

4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide (PubChem CID 104967489) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide
PubChem CID104967489
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)C1(C(N)=S)CCOCC1
InChIInChI=1S/C14H24N2O2S/c1-10-4-3-5-11(2)16(10)13(17)14(12(15)19)6-8-18-9-7-14/h10-11H,3-9H2,1-2H3,(H2,15,19)/t10-,11+
InChIKeyDNTMSWBGAKWHSY-PHIMTYICSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]cycloheptane-1-carbothioamide
CID 104967482
(4-aminooxan-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 113280563
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]oxane-4-carbothioamide
CID 104958745
4-(4,4-dimethylazepane-1-carbonyl)oxane-4-carbothioamide
CID 65281063
4-(3-methoxypiperidine-1-carbonyl)oxane-4-carbothioamide
CID 102957868
4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]oxane-4-carbothioamide
CID 62888806
4-(4-methylsulfonylpiperazine-1-carbonyl)oxane-4-carbothioamide
CID 63004555
1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 114536931
4-carbamothioyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxane-4-carboxamide
CID 106023728
4-carbamothioyl-N-methyl-N-(oxolan-3-yl)oxane-4-carboxamide
CID 82737877
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopropane-1-carbothioamide
CID 115559910
4-carbamothioyl-N-(oxan-3-yl)oxane-4-carboxamide
CID 63361491

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide (CID 104967489) is 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide is C[C@@H]1CCC[C@H](C)N1C(=O)C1(C(N)=S)CCOCC1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide?
The InChIKey is DNTMSWBGAKWHSY-PHIMTYICSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10-4-3-5-11(2)16(10)13(17)14(12(15)19)6-8-18-9-7-14/h10-11H,3-9H2,1-2H3,(H2,15,19)/t10-,11+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide?
4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide has a molecular weight of 284.43 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]oxane-4-carbothioamide is sourced from PubChem (CID 104967489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).