N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide

C15H23N5O3S — CID 128973220

IUPACN-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC2CCOC(c3cncn3C)C2)c1
InChIInChI=1S/C15H23N5O3S/c1-11(2)20-8-15(17-10-20)24(21,22)18-12-4-5-23-14(6-12)13-7-16-9-19(13)3/h7-12,14,18H,4-6H2,1-3H3
InChIKeyLXGPCSZDQVQYHM-UHFFFAOYSA-N
MW353.45 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide

N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 128973220) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID128973220
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC2CCOC(c3cncn3C)C2)c1
InChIInChI=1S/C15H23N5O3S/c1-11(2)20-8-15(17-10-20)24(21,22)18-12-4-5-23-14(6-12)13-7-16-9-19(13)3/h7-12,14,18H,4-6H2,1-3H3
InChIKeyLXGPCSZDQVQYHM-UHFFFAOYSA-N
XLogP1.40
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 128965174
N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 129006947
N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333161
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333162
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333163
N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333164
3-tert-butyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 129337645
3-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 129337646
3-tert-butyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 129337647
3-tert-butyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 129337648
N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 129340915
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 129340916

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide (CID 128973220) is N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NC2CCOC(c3cncn3C)C2)c1.
What is the InChIKey of N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is LXGPCSZDQVQYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-11(2)20-8-15(17-10-20)24(21,22)18-12-4-5-23-14(6-12)13-7-16-9-19(13)3/h7-12,14,18H,4-6H2,1-3H3.
What are the key properties of N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 353.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 128973220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).