1-cyclopropylsulfonyl-4-phenylazepan-4-ol

C15H21NO3S — CID 58282889

IUPAC1-cyclopropylsulfonyl-4-phenylazepan-4-ol
SMILESO=S(=O)(C1CC1)N1CCCC(O)(c2ccccc2)CC1
InChIInChI=1S/C15H21NO3S/c17-15(13-5-2-1-3-6-13)9-4-11-16(12-10-15)20(18,19)14-7-8-14/h1-3,5-6,14,17H,4,7-12H2
InChIKeyCGLVIIZGNCXEFU-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.85
Rot. Bonds3

About 1-cyclopropylsulfonyl-4-phenylazepan-4-ol

1-cyclopropylsulfonyl-4-phenylazepan-4-ol (PubChem CID 58282889) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-phenylazepan-4-ol.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-phenylazepan-4-ol
PubChem CID58282889
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-cyclopropylsulfonyl-4-phenylazepan-4-ol
SMILESO=S(=O)(C1CC1)N1CCCC(O)(c2ccccc2)CC1
InChIInChI=1S/C15H21NO3S/c17-15(13-5-2-1-3-6-13)9-4-11-16(12-10-15)20(18,19)14-7-8-14/h1-3,5-6,14,17H,4,7-12H2
InChIKeyCGLVIIZGNCXEFU-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-phenylazepan-4-ol?
The IUPAC name of 1-cyclopropylsulfonyl-4-phenylazepan-4-ol (CID 58282889) is 1-cyclopropylsulfonyl-4-phenylazepan-4-ol.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-phenylazepan-4-ol?
The canonical SMILES for 1-cyclopropylsulfonyl-4-phenylazepan-4-ol is O=S(=O)(C1CC1)N1CCCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-phenylazepan-4-ol?
The InChIKey is CGLVIIZGNCXEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-15(13-5-2-1-3-6-13)9-4-11-16(12-10-15)20(18,19)14-7-8-14/h1-3,5-6,14,17H,4,7-12H2.
What are the key properties of 1-cyclopropylsulfonyl-4-phenylazepan-4-ol?
1-cyclopropylsulfonyl-4-phenylazepan-4-ol has a molecular weight of 295.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-phenylazepan-4-ol is sourced from PubChem (CID 58282889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).