N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C13H20N2O2S — CID 55257127

IUPACN-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(C)CC1CC1C
InChIInChI=1S/C13H20N2O2S/c1-10-8-11(10)9-15(3)18(16,17)13-7-5-4-6-12(13)14-2/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyIFCDPJSWMVZFEG-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.00
Rot. Bonds5

About N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 55257127) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID55257127
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(C)CC1CC1C
InChIInChI=1S/C13H20N2O2S/c1-10-8-11(10)9-15(3)18(16,17)13-7-5-4-6-12(13)14-2/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyIFCDPJSWMVZFEG-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
CID 62143951
N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 63009663
N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107328951
N-methyl-4-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860031
N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 63861541
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844
4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858811
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide
CID 114953048
2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63878730
2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
CID 63858622

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 55257127) is N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is CNc1ccccc1S(=O)(=O)N(C)CC1CC1C.
What is the InChIKey of N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is IFCDPJSWMVZFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-8-11(10)9-15(3)18(16,17)13-7-5-4-6-12(13)14-2/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55257127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).