1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride

C11H18ClN3O3S — CID 82913357

IUPAC1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride
SMILESCC(C)N1CCOC(Cn2cnc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C11H18ClN3O3S/c1-9(2)15-3-4-18-10(6-15)5-14-7-11(13-8-14)19(12,16)17/h7-10H,3-6H2,1-2H3
InChIKeySLGRXGQMHNHYFQ-UHFFFAOYSA-N
MW307.80 g/mol
LogP0.92
Rot. Bonds4

About 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride

1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride (PubChem CID 82913357) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride
PubChem CID82913357
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride
SMILESCC(C)N1CCOC(Cn2cnc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C11H18ClN3O3S/c1-9(2)15-3-4-18-10(6-15)5-14-7-11(13-8-14)19(12,16)17/h7-10H,3-6H2,1-2H3
InChIKeySLGRXGQMHNHYFQ-UHFFFAOYSA-N
XLogP0.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride (CID 82913357) is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride is CC(C)N1CCOC(Cn2cnc(S(=O)(=O)Cl)c2)C1.
What is the InChIKey of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride?
The InChIKey is SLGRXGQMHNHYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S/c1-9(2)15-3-4-18-10(6-15)5-14-7-11(13-8-14)19(12,16)17/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride?
1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride has a molecular weight of 307.80 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).