N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide

C12H19N3O3S — CID 107863412

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(N[C@@H](CO)c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H19N3O3S/c16-10-12(11-4-2-1-3-5-11)14-19(17,18)15-8-6-13-7-9-15/h1-5,12-14,16H,6-10H2/t12-/m0/s1
InChIKeySMMFVFRGBHWADT-LBPRGKRZSA-N
MW285.37 g/mol
LogP-0.54
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide

N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide (PubChem CID 107863412) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide
PubChem CID107863412
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(N[C@@H](CO)c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H19N3O3S/c16-10-12(11-4-2-1-3-5-11)14-19(17,18)15-8-6-13-7-9-15/h1-5,12-14,16H,6-10H2/t12-/m0/s1
InChIKeySMMFVFRGBHWADT-LBPRGKRZSA-N
XLogP-0.54
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpropyl)piperazine-1-sulfonamide
CID 62304382
N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
CID 63183108
N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 63182703
N-(2-bromo-1-phenylethyl)azepane-1-sulfonamide
CID 114296872
N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
CID 61124934
N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide
CID 61252712
2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862973
N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide
CID 61252728
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
CID 65030816
N-[(2R,3S)-1-hydroxy-3-phenylbutan-2-yl]azepane-1-sulfonamide
CID 97239368
2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
CID 107862097

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide (CID 107863412) is N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide is O=S(=O)(N[C@@H](CO)c1ccccc1)N1CCNCC1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide?
The InChIKey is SMMFVFRGBHWADT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-10-12(11-4-2-1-3-5-11)14-19(17,18)15-8-6-13-7-9-15/h1-5,12-14,16H,6-10H2/t12-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide?
N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 107863412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).