N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide

C13H21NO3S — CID 97417775

IUPACN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](OC)c1ccccc1C
InChIInChI=1S/C13H21NO3S/c1-4-9-18(15,16)14-10-13(17-3)12-8-6-5-7-11(12)2/h5-8,13-14H,4,9-10H2,1-3H3/t13-/m0/s1
InChIKeyPTTCFHXVPZEUTE-ZDUSSCGKSA-N
MW271.38 g/mol
LogP2.01
Rot. Bonds7

About N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide

N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide (PubChem CID 97417775) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide
PubChem CID97417775
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](OC)c1ccccc1C
InChIInChI=1S/C13H21NO3S/c1-4-9-18(15,16)14-10-13(17-3)12-8-6-5-7-11(12)2/h5-8,13-14H,4,9-10H2,1-3H3/t13-/m0/s1
InChIKeyPTTCFHXVPZEUTE-ZDUSSCGKSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide (CID 97417775) is N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@H](OC)c1ccccc1C.
What is the InChIKey of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is PTTCFHXVPZEUTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-9-18(15,16)14-10-13(17-3)12-8-6-5-7-11(12)2/h5-8,13-14H,4,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide?
N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 97417775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).