[(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate

C12H17N3O5S — CID 175360295

IUPAC[(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate
SMILESCCS(=O)(=O)c1ccc([C@H](CNC(N)=O)OC(N)=O)cc1
InChIInChI=1S/C12H17N3O5S/c1-2-21(18,19)9-5-3-8(4-6-9)10(20-12(14)17)7-15-11(13)16/h3-6,10H,2,7H2,1H3,(H2,14,17)(H3,13,15,16)/t10-/m0/s1
InChIKeyJVLUUUSVIGVLGH-JTQLQIEISA-N
MW315.35 g/mol
LogP0.28
Rot. Bonds6

About [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate

[(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate (PubChem CID 175360295) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate
PubChem CID175360295
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name[(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate
SMILESCCS(=O)(=O)c1ccc([C@H](CNC(N)=O)OC(N)=O)cc1
InChIInChI=1S/C12H17N3O5S/c1-2-21(18,19)9-5-3-8(4-6-9)10(20-12(14)17)7-15-11(13)16/h3-6,10H,2,7H2,1H3,(H2,14,17)(H3,13,15,16)/t10-/m0/s1
InChIKeyJVLUUUSVIGVLGH-JTQLQIEISA-N
XLogP0.28
TPSA141.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-cyano-1-(4-ethylsulfonylphenyl)ethyl] carbamate
CID 175151348
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride
CID 166644392
3-carbamoyloxy-2-(4-ethylsulfonylphenyl)propanoic acid
CID 156774002
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
CID 83927251
tert-butyl N-[(1R)-1-(4-ethylsulfonylphenyl)-2-(methoxycarbonylamino)ethyl]carbamate
CID 166058461
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
propyl 4-ethylsulfonylbenzoate
CID 142374823
[2-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylethyl] N-(4-methylphenyl)sulfonylcarbamate
CID 2813116
2-(4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425917

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate?
The IUPAC name of [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate (CID 175360295) is [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate.
What is the SMILES notation for [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate?
The canonical SMILES for [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate is CCS(=O)(=O)c1ccc([C@H](CNC(N)=O)OC(N)=O)cc1.
What is the InChIKey of [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate?
The InChIKey is JVLUUUSVIGVLGH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-2-21(18,19)9-5-3-8(4-6-9)10(20-12(14)17)7-15-11(13)16/h3-6,10H,2,7H2,1H3,(H2,14,17)(H3,13,15,16)/t10-/m0/s1.
What are the key properties of [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate?
[(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate has a molecular weight of 315.35 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(carbamoylamino)-1-(4-ethylsulfonylphenyl)ethyl] carbamate is sourced from PubChem (CID 175360295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).