5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide

C10H16N2O3S2 — CID 103287957

IUPAC5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1SCCCO
InChIInChI=1S/C10H16N2O3S2/c1-12-17(14,15)10-7-8(11)3-4-9(10)16-6-2-5-13/h3-4,7,12-13H,2,5-6,11H2,1H3
InChIKeyGPIITVAZFYKWON-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.65
Rot. Bonds6

About 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide

5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide (PubChem CID 103287957) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide
PubChem CID103287957
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1SCCCO
InChIInChI=1S/C10H16N2O3S2/c1-12-17(14,15)10-7-8(11)3-4-9(10)16-6-2-5-13/h3-4,7,12-13H,2,5-6,11H2,1H3
InChIKeyGPIITVAZFYKWON-UHFFFAOYSA-N
XLogP0.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-(3-hydroxypropylsulfanyl)benzoate
CID 66129162
3-(4-amino-2-chlorophenyl)sulfanylpropan-1-ol
CID 43305115
3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol
CID 66112702
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286700
5-amino-2-hexadecylsulfanylbenzenesulfonyl fluoride
CID 154252154
5-amino-N-methyl-2-(2-methylphenyl)sulfanylbenzenesulfonamide
CID 103287918
4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide
CID 82901119
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
2-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 66112944
4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 82901626

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide (CID 103287957) is 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1SCCCO.
What is the InChIKey of 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide?
The InChIKey is GPIITVAZFYKWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-12-17(14,15)10-7-8(11)3-4-9(10)16-6-2-5-13/h3-4,7,12-13H,2,5-6,11H2,1H3.
What are the key properties of 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide?
5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide has a molecular weight of 276.38 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).