(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide

C17H26N2O2S — CID 95330022

IUPAC(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C17H26N2O2S/c1-12-10-14(22-17(2,3)4)7-8-15(12)18-16(21)19-9-5-6-13(20)11-19/h7-8,10,13,20H,5-6,9,11H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyYZVFFHYFJFQVQO-CYBMUJFWSA-N
MW322.47 g/mol
LogP3.87
Rot. Bonds2

About (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide

(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 95330022) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID95330022
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C17H26N2O2S/c1-12-10-14(22-17(2,3)4)7-8-15(12)18-16(21)19-9-5-6-13(20)11-19/h7-8,10,13,20H,5-6,9,11H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyYZVFFHYFJFQVQO-CYBMUJFWSA-N
XLogP3.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butylsulfanyl-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078793
(2S)-N-(4-tert-butylsulfanyl-2-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111116986
3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 110890870
3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61435039
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 111102213
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619
3-methyl-N-(2-methyl-4-phenylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 86877138
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 60569756
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859220

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide (CID 95330022) is (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide is Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is YZVFFHYFJFQVQO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-12-10-14(22-17(2,3)4)7-8-15(12)18-16(21)19-9-5-6-13(20)11-19/h7-8,10,13,20H,5-6,9,11H2,1-4H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide?
(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 95330022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).