N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

C13H22N2O2S — CID 123917247

IUPACN-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)N(C)CCN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-12(2)14(3)10-11-15(4)18(16,17)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyLYFXMXGCQSNYDV-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.65
Rot. Bonds6

About N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 123917247) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID123917247
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)N(C)CCN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-12(2)14(3)10-11-15(4)18(16,17)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyLYFXMXGCQSNYDV-UHFFFAOYSA-N
XLogP1.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
(2S)-12-[benzenesulfonyl(methyl)amino]-2-methyldodecanoic acid
CID 15319363
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100570202
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297
tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate
CID 110315307
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (CID 123917247) is N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is CC(C)N(C)CCN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is LYFXMXGCQSNYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-12(2)14(3)10-11-15(4)18(16,17)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3.
What are the key properties of N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 123917247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).