[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride

C11H17ClN2O4S — CID 166644392

IUPAC[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride
SMILESCCS(=O)(=O)c1ccc([C@@H](N)COC(N)=O)cc1.Cl
InChIInChI=1S/C11H16N2O4S.ClH/c1-2-18(15,16)9-5-3-8(4-6-9)10(12)7-17-11(13)14;/h3-6,10H,2,7,12H2,1H3,(H2,13,14);1H/t10-;/m0./s1
InChIKeyVJXCNFJHSDDCEX-PPHPATTJSA-N
MW308.79 g/mol
LogP1.00
Rot. Bonds5

About [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride

[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride (PubChem CID 166644392) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride.

Molecular Properties

Compound Name[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride
PubChem CID166644392
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Name[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride
SMILESCCS(=O)(=O)c1ccc([C@@H](N)COC(N)=O)cc1.Cl
InChIInChI=1S/C11H16N2O4S.ClH/c1-2-18(15,16)9-5-3-8(4-6-9)10(12)7-17-11(13)14;/h3-6,10H,2,7,12H2,1H3,(H2,13,14);1H/t10-;/m0./s1
InChIKeyVJXCNFJHSDDCEX-PPHPATTJSA-N
XLogP1.00
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbamoyloxy-2-(4-ethylsulfonylphenyl)propanoic acid
CID 156774002
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
[3-amino-3-(4-ethylsulfonylphenyl)propyl]-methylcarbamic acid
CID 175154396
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
[(1S)-2-cyano-1-(4-ethylsulfonylphenyl)ethyl] carbamate
CID 175151348
[(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate
CID 175360295
[3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate
CID 172722020
2-(4-ethylsulfonylphenyl)-1-phenylethanamine
CID 63197025
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
cyclopropyl-(4-ethylsulfonylphenyl)methanamine
CID 71015786

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride?
The IUPAC name of [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride (CID 166644392) is [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride.
What is the SMILES notation for [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride?
The canonical SMILES for [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride is CCS(=O)(=O)c1ccc([C@@H](N)COC(N)=O)cc1.Cl.
What is the InChIKey of [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride?
The InChIKey is VJXCNFJHSDDCEX-PPHPATTJSA-N. The full InChI is InChI=1S/C11H16N2O4S.ClH/c1-2-18(15,16)9-5-3-8(4-6-9)10(12)7-17-11(13)14;/h3-6,10H,2,7,12H2,1H3,(H2,13,14);1H/t10-;/m0./s1.
What are the key properties of [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride?
[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride has a molecular weight of 308.79 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride is sourced from PubChem (CID 166644392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).