N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide

C11H15NO3S — CID 103825699

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)C1CC1
InChIInChI=1S/C11H15NO3S/c13-8-11(9-4-2-1-3-5-9)12-16(14,15)10-6-7-10/h1-5,10-13H,6-8H2/t11-/m1/s1
InChIKeyMBDQDLYATBYVEU-LLVKDONJSA-N
MW241.31 g/mol
LogP0.80
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide

N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide (PubChem CID 103825699) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
PubChem CID103825699
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)C1CC1
InChIInChI=1S/C11H15NO3S/c13-8-11(9-4-2-1-3-5-9)12-16(14,15)10-6-7-10/h1-5,10-13H,6-8H2/t11-/m1/s1
InChIKeyMBDQDLYATBYVEU-LLVKDONJSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
CID 64552602
N-[(1S)-2-hydroxy-1-phenylethyl]-1,1-dioxothiolane-3-sulfonamide
CID 107863557
(2R)-2-(cyclopropylsulfamoylamino)-2-phenylethanol
CID 104919310
4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid
CID 105360745
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-4-sulfonamide
CID 114296825
2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
CID 107862097
bis[(2S)-2-(cyclohexylsulfonylamino)-2-phenylethyl] (E)-but-2-enedioate
CID 126496956
(3R)-3-(3-bromophenyl)-3-(cyclopropylsulfonylamino)propanoic acid
CID 146134249
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
CID 63183108
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
CID 107863619

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide (CID 103825699) is N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide is O=S(=O)(N[C@H](CO)c1ccccc1)C1CC1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide?
The InChIKey is MBDQDLYATBYVEU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-8-11(9-4-2-1-3-5-9)12-16(14,15)10-6-7-10/h1-5,10-13H,6-8H2/t11-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide?
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide is sourced from PubChem (CID 103825699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).