(2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide

C16H24N2OS — CID 971234

IUPAC(2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide
SMILESCCOc1ccc(NC(=S)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C16H24N2OS/c1-4-19-15-10-8-14(9-11-15)17-16(20)18-12(2)6-5-7-13(18)3/h8-13H,4-7H2,1-3H3,(H,17,20)/t12-,13+
InChIKeyASYXDJWDHPZZTF-BETUJISGSA-N
MW292.45 g/mol
LogP4.05
Rot. Bonds3

About (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide

(2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide (PubChem CID 971234) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name(2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide
PubChem CID971234
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide
SMILESCCOc1ccc(NC(=S)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C16H24N2OS/c1-4-19-15-10-8-14(9-11-15)17-16(20)18-12(2)6-5-7-13(18)3/h8-13H,4-7H2,1-3H3,(H,17,20)/t12-,13+
InChIKeyASYXDJWDHPZZTF-BETUJISGSA-N
XLogP4.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.05
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

(2S,6S)-N-(4-chlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 40642609
N-(4-bromophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 17381839
1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 769372
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 40642543
1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 7941815
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1,3-bis(4-ethoxyphenyl)thiourea;dicyclohexylalumane
CID 173293068

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide?
The IUPAC name of (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide (CID 971234) is (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide.
What is the SMILES notation for (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide?
The canonical SMILES for (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide is CCOc1ccc(NC(=S)N2[C@H](C)CCC[C@@H]2C)cc1.
What is the InChIKey of (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide?
The InChIKey is ASYXDJWDHPZZTF-BETUJISGSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-19-15-10-8-14(9-11-15)17-16(20)18-12(2)6-5-7-13(18)3/h8-13H,4-7H2,1-3H3,(H,17,20)/t12-,13+.
What are the key properties of (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide?
(2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide is sourced from PubChem (CID 971234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).