5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide

C10H16N2O3S — CID 10060387

IUPAC5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)N)cc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)/t7-/m1/s1
InChIKeyIORITYIZDHJCGT-SSDOTTSWSA-N
MW244.32 g/mol
LogP0.23
Rot. Bonds4

About 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide

5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide (PubChem CID 10060387) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide
PubChem CID10060387
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)N)cc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)/t7-/m1/s1
InChIKeyIORITYIZDHJCGT-SSDOTTSWSA-N
XLogP0.23
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
CID 2992053
5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
5-(2-Aminoethyl)-2-methoxybenzene-1-sulfonamide hydrochloride
CID 21848695
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 648432
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
CID 850126
2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 967887

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide (CID 10060387) is 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide is COc1ccc(C[C@@H](C)N)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide?
The InChIKey is IORITYIZDHJCGT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)/t7-/m1/s1.
What are the key properties of 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide?
5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 10060387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).