N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide

C9H14N2O3S — CID 22843302

IUPACN-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc([C@H](O)CN)cc1
InChIInChI=1S/C9H14N2O3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,9,11-12H,6,10H2,1H3/t9-/m1/s1
InChIKeyQFNXQNYBIMKZLS-SECBINFHSA-N
MW230.29 g/mol
LogP0.05
Rot. Bonds4

About N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide

N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide (PubChem CID 22843302) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide
PubChem CID22843302
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc([C@H](O)CN)cc1
InChIInChI=1S/C9H14N2O3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,9,11-12H,6,10H2,1H3/t9-/m1/s1
InChIKeyQFNXQNYBIMKZLS-SECBINFHSA-N
XLogP0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide (CID 22843302) is N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc([C@H](O)CN)cc1.
What is the InChIKey of N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide?
The InChIKey is QFNXQNYBIMKZLS-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,9,11-12H,6,10H2,1H3/t9-/m1/s1.
What are the key properties of N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide?
N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-2-amino-1-hydroxyethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 22843302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).