N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

C11H22N4O2S — CID 63024504

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(C)Cc1nccn1C
InChIInChI=1S/C11H22N4O2S/c1-10(2)12-6-8-18(16,17)15(4)9-11-13-5-7-14(11)3/h5,7,10,12H,6,8-9H2,1-4H3
InChIKeySFLIGQHYYKGLEV-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.18
Rot. Bonds7

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 63024504) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID63024504
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(C)Cc1nccn1C
InChIInChI=1S/C11H22N4O2S/c1-10(2)12-6-8-18(16,17)15(4)9-11-13-5-7-14(11)3/h5,7,10,12H,6,8-9H2,1-4H3
InChIKeySFLIGQHYYKGLEV-UHFFFAOYSA-N
XLogP0.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63026028
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
CID 106335969
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106017911
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 63293461
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81021659
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 63025572
2-amino-N,4,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139198
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664864
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54972424

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 63024504) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)N(C)Cc1nccn1C.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is SFLIGQHYYKGLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-10(2)12-6-8-18(16,17)15(4)9-11-13-5-7-14(11)3/h5,7,10,12H,6,8-9H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 63024504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).