2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide

C11H19N3O3S — CID 113349686

IUPAC2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2(C)CCOCC2)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-9-12-7-10(14-9)18(15,16)13-8-11(2)3-5-17-6-4-11/h7,13H,3-6,8H2,1-2H3,(H,12,14)
InChIKeyMLNIOVDOWRTSQH-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.81
Rot. Bonds4

About 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide

2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 113349686) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID113349686
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2(C)CCOCC2)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-9-12-7-10(14-9)18(15,16)13-8-11(2)3-5-17-6-4-11/h7,13H,3-6,8H2,1-2H3,(H,12,14)
InChIKeyMLNIOVDOWRTSQH-UHFFFAOYSA-N
XLogP0.81
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908553
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 80742802
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 112551405
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 110875704
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379
2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136964282
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide (CID 113349686) is 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2(C)CCOCC2)[nH]1.
What is the InChIKey of 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is MLNIOVDOWRTSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-12-7-10(14-9)18(15,16)13-8-11(2)3-5-17-6-4-11/h7,13H,3-6,8H2,1-2H3,(H,12,14).
What are the key properties of 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113349686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).