N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H24N2O4S2 — CID 97416884

IUPACN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCSc1ccc([C@@H](O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O4S2/c1-23-14-5-3-12(4-6-14)15(19)11-17-16(20)13-7-9-18(10-8-13)24(2,21)22/h3-6,13,15,19H,7-11H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyIUVQUGFBKVIJHX-HNNXBMFYSA-N
MW372.51 g/mol
LogP1.23
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 97416884) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID97416884
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCSc1ccc([C@@H](O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O4S2/c1-23-14-5-3-12(4-6-14)15(19)11-17-16(20)13-7-9-18(10-8-13)24(2,21)22/h3-6,13,15,19H,7-11H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyIUVQUGFBKVIJHX-HNNXBMFYSA-N
XLogP1.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 97416884) is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CSc1ccc([C@@H](O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is IUVQUGFBKVIJHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-23-14-5-3-12(4-6-14)15(19)11-17-16(20)13-7-9-18(10-8-13)24(2,21)22/h3-6,13,15,19H,7-11H2,1-2H3,(H,17,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 97416884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).