N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride

C11H19ClN2O2S2 — CID 120710579

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCSc1ccccc1S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C11H18N2O2S2.ClH/c1-9(8-12)13(2)17(14,15)11-7-5-4-6-10(11)16-3;/h4-7,9H,8,12H2,1-3H3;1H
InChIKeyBWPCOQZUJAHRSL-UHFFFAOYSA-N
MW310.87 g/mol
LogP1.80
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride (PubChem CID 120710579) has the molecular formula C11H19ClN2O2S2 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
PubChem CID120710579
Molecular FormulaC11H19ClN2O2S2
Molecular Weight310.87 g/mol
Exact Mass310.06
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCSc1ccccc1S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C11H18N2O2S2.ClH/c1-9(8-12)13(2)17(14,15)11-7-5-4-6-10(11)16-3;/h4-7,9H,8,12H2,1-3H3;1H
InChIKeyBWPCOQZUJAHRSL-UHFFFAOYSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide
CID 119983002
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
CID 119982528
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677
N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
CID 119982500
2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
CID 43272487
N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119982725
N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119982967
N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide
CID 120710609
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride (CID 120710579) is N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride is CSc1ccccc1S(=O)(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The InChIKey is BWPCOQZUJAHRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2.ClH/c1-9(8-12)13(2)17(14,15)11-7-5-4-6-10(11)16-3;/h4-7,9H,8,12H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120710579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).