N-(1-amino-1-phenylethyl)methanesulfonamide

C9H14N2O2S — CID 174630442

IUPACN-(1-amino-1-phenylethyl)methanesulfonamide
SMILESCC(N)(NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C9H14N2O2S/c1-9(10,11-14(2,12)13)8-6-4-3-5-7-8/h3-7,11H,10H2,1-2H3
InChIKeyRZGGWOYPYAYTHL-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.37
Rot. Bonds3

About N-(1-amino-1-phenylethyl)methanesulfonamide

N-(1-amino-1-phenylethyl)methanesulfonamide (PubChem CID 174630442) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(1-amino-1-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-1-phenylethyl)methanesulfonamide
PubChem CID174630442
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(1-amino-1-phenylethyl)methanesulfonamide
SMILESCC(N)(NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C9H14N2O2S/c1-9(10,11-14(2,12)13)8-6-4-3-5-7-8/h3-7,11H,10H2,1-2H3
InChIKeyRZGGWOYPYAYTHL-UHFFFAOYSA-N
XLogP0.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-phenylethyl)methanesulfonamide?
The IUPAC name of N-(1-amino-1-phenylethyl)methanesulfonamide (CID 174630442) is N-(1-amino-1-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-(1-amino-1-phenylethyl)methanesulfonamide?
The canonical SMILES for N-(1-amino-1-phenylethyl)methanesulfonamide is CC(N)(NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-(1-amino-1-phenylethyl)methanesulfonamide?
The InChIKey is RZGGWOYPYAYTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(10,11-14(2,12)13)8-6-4-3-5-7-8/h3-7,11H,10H2,1-2H3.
What are the key properties of N-(1-amino-1-phenylethyl)methanesulfonamide?
N-(1-amino-1-phenylethyl)methanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-phenylethyl)methanesulfonamide is sourced from PubChem (CID 174630442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).