N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide

C12H21N3O3S — CID 71686948

IUPACN,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
SMILESCN(CC1(C)CCOCC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H21N3O3S/c1-12(4-6-18-7-5-12)9-15(3)19(16,17)11-8-14(2)10-13-11/h8,10H,4-7,9H2,1-3H3
InChIKeyMXDCDNMNIOMIKK-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.86
Rot. Bonds4

About N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide

N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 71686948) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID71686948
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
SMILESCN(CC1(C)CCOCC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H21N3O3S/c1-12(4-6-18-7-5-12)9-15(3)19(16,17)11-8-14(2)10-13-11/h8,10H,4-7,9H2,1-3H3
InChIKeyMXDCDNMNIOMIKK-UHFFFAOYSA-N
XLogP0.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide (CID 71686948) is N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide is CN(CC1(C)CCOCC1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is MXDCDNMNIOMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-12(4-6-18-7-5-12)9-15(3)19(16,17)11-8-14(2)10-13-11/h8,10H,4-7,9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide?
N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 71686948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).