N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide

C13H23N3O3S — CID 71686954

IUPACN,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CC2(C)CCOCC2)cn1C
InChIInChI=1S/C13H23N3O3S/c1-11-14-12(9-15(11)3)20(17,18)16(4)10-13(2)5-7-19-8-6-13/h9H,5-8,10H2,1-4H3
InChIKeyAHNPNSQAGGRTFI-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.17
Rot. Bonds4

About N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide

N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 71686954) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID71686954
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CC2(C)CCOCC2)cn1C
InChIInChI=1S/C13H23N3O3S/c1-11-14-12(9-15(11)3)20(17,18)16(4)10-13(2)5-7-19-8-6-13/h9H,5-8,10H2,1-4H3
InChIKeyAHNPNSQAGGRTFI-UHFFFAOYSA-N
XLogP1.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide (CID 71686954) is N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)CC2(C)CCOCC2)cn1C.
What is the InChIKey of N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is AHNPNSQAGGRTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11-14-12(9-15(11)3)20(17,18)16(4)10-13(2)5-7-19-8-6-13/h9H,5-8,10H2,1-4H3.
What are the key properties of N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide?
N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 71686954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).