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

C15H23N5O3S — CID 129333162

IUPACN-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)N[C@H]2CCO[C@H](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/t12-,14-/m0/s1
InChIKeyLXGPCSZDQVQYHM-JSGCOSHPSA-N
MW353.45 g/mol
LogP1.40
Rot. Bonds5

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

N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 129333162) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID129333162
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)N[C@H]2CCO[C@H](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/t12-,14-/m0/s1
InChIKeyLXGPCSZDQVQYHM-JSGCOSHPSA-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

N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333164
N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 109379489
2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide
CID 128967939
3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 129005299
(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129328384
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330
3-ethyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129331407
2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
CID 129341065
2-chloro-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 129331112
2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 129331114
1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 129346409
(3R)-1-(azepan-1-yl)-3-[[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]butan-1-one
CID 129331363

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide (CID 129333162) is N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c1.
What is the InChIKey of N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is LXGPCSZDQVQYHM-JSGCOSHPSA-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/t12-,14-/m0/s1.
What are the key properties of N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[(2S,4S)-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-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 129333162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).