N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide

C12H20N2O4S2 — CID 119982877

IUPACN-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)C(C)CN
InChIInChI=1S/C12H20N2O4S2/c1-9-5-6-11(19(4,15)16)7-12(9)20(17,18)14(3)10(2)8-13/h5-7,10H,8,13H2,1-4H3
InChIKeyCWPSALPFHYQREC-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.37
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide

N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 119982877) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
PubChem CID119982877
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC NameN-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)C(C)CN
InChIInChI=1S/C12H20N2O4S2/c1-9-5-6-11(19(4,15)16)7-12(9)20(17,18)14(3)10(2)8-13/h5-7,10H,8,13H2,1-4H3
InChIKeyCWPSALPFHYQREC-UHFFFAOYSA-N
XLogP0.37
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119982575
N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide
CID 119983002
N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 43455184
4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120875211
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
2-methyl-5-methylsulfonylbenzenesulfonamide
CID 597880
N-(1-aminopropan-2-yl)-N,4,5-trimethylthiophene-2-sulfonamide
CID 86784631
2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 115776360
N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
CID 62143236
N-(1-aminopropan-2-yl)-N,2-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119982869
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
CID 119982500
N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 60532350

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide (CID 119982877) is N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide is Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is CWPSALPFHYQREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-9-5-6-11(19(4,15)16)7-12(9)20(17,18)14(3)10(2)8-13/h5-7,10H,8,13H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 320.44 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 119982877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).