1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol

C14H25N3O3S — CID 79541603

IUPAC1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
SMILESCc1nc(S(=O)(=O)N2CCCCCC2CC(C)O)cn1C
InChIInChI=1S/C14H25N3O3S/c1-11(18)9-13-7-5-4-6-8-17(13)21(19,20)14-10-16(3)12(2)15-14/h10-11,13,18H,4-9H2,1-3H3
InChIKeyOUFJMEMGGKWZQU-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.43
Rot. Bonds4

About 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol

1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol (PubChem CID 79541603) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
PubChem CID79541603
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
SMILESCc1nc(S(=O)(=O)N2CCCCCC2CC(C)O)cn1C
InChIInChI=1S/C14H25N3O3S/c1-11(18)9-13-7-5-4-6-8-17(13)21(19,20)14-10-16(3)12(2)15-14/h10-11,13,18H,4-9H2,1-3H3
InChIKeyOUFJMEMGGKWZQU-UHFFFAOYSA-N
XLogP1.43
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol (CID 79541603) is 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol is Cc1nc(S(=O)(=O)N2CCCCCC2CC(C)O)cn1C.
What is the InChIKey of 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol?
The InChIKey is OUFJMEMGGKWZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11(18)9-13-7-5-4-6-8-17(13)21(19,20)14-10-16(3)12(2)15-14/h10-11,13,18H,4-9H2,1-3H3.
What are the key properties of 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol?
1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol has a molecular weight of 315.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol is sourced from PubChem (CID 79541603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).