methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate

C15H22N2O4S — CID 40635393

IUPACmethyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-13-6-4-5-11-17(13)22(19,20)14-9-7-12(8-10-14)16-15(18)21-2/h7-10,13H,3-6,11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyGIEHGPMXMIPVGO-CYBMUJFWSA-N
MW326.42 g/mol
LogP2.82
Rot. Bonds4

About methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate

methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 40635393) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
PubChem CID40635393
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namemethyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-13-6-4-5-11-17(13)22(19,20)14-9-7-12(8-10-14)16-15(18)21-2/h7-10,13H,3-6,11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyGIEHGPMXMIPVGO-CYBMUJFWSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
2-(3,4-dimethoxyphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2988784
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate (CID 40635393) is methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate is CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is GIEHGPMXMIPVGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-13-6-4-5-11-17(13)22(19,20)14-9-7-12(8-10-14)16-15(18)21-2/h7-10,13H,3-6,11H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate?
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 326.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 40635393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).