propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate

C12H18N2O5S — CID 107863552

IUPACpropan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C12H18N2O5S/c1-9(2)19-12(16)14-20(17,18)13-11(8-15)10-6-4-3-5-7-10/h3-7,9,11,13,15H,8H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyOPHHVZWDRCWEBK-LLVKDONJSA-N
MW302.35 g/mol
LogP0.69
Rot. Bonds6

About propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate

propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate (PubChem CID 107863552) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
PubChem CID107863552
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Namepropan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C12H18N2O5S/c1-9(2)19-12(16)14-20(17,18)13-11(8-15)10-6-4-3-5-7-10/h3-7,9,11,13,15H,8H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyOPHHVZWDRCWEBK-LLVKDONJSA-N
XLogP0.69
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863586
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
ethyl N-[(2-bromo-1-phenylethyl)sulfamoyl]carbamate
CID 114466749
propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
CID 114461545
propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate
CID 114463811
propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
CID 114464725
2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
CID 107862097
(2R)-2-(cyclopropylsulfamoylamino)-2-phenylethanol
CID 104919310
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
CID 63183108
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate (CID 107863552) is propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate?
The InChIKey is OPHHVZWDRCWEBK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-9(2)19-12(16)14-20(17,18)13-11(8-15)10-6-4-3-5-7-10/h3-7,9,11,13,15H,8H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate?
propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate has a molecular weight of 302.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate is sourced from PubChem (CID 107863552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).