1-butylsulfonyl-4-methylazepan-4-ol

C11H23NO3S — CID 107407120

IUPAC1-butylsulfonyl-4-methylazepan-4-ol
SMILESCCCCS(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H23NO3S/c1-3-4-10-16(14,15)12-8-5-6-11(2,13)7-9-12/h13H,3-10H2,1-2H3
InChIKeyUSHHNJKMEGPWHI-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.35
Rot. Bonds4

About 1-butylsulfonyl-4-methylazepan-4-ol

1-butylsulfonyl-4-methylazepan-4-ol (PubChem CID 107407120) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-butylsulfonyl-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-butylsulfonyl-4-methylazepan-4-ol
PubChem CID107407120
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-butylsulfonyl-4-methylazepan-4-ol
SMILESCCCCS(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H23NO3S/c1-3-4-10-16(14,15)12-8-5-6-11(2,13)7-9-12/h13H,3-10H2,1-2H3
InChIKeyUSHHNJKMEGPWHI-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
4-hydroxy-4-methylazepane-1-sulfonamide
CID 107406904
8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17377912
4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol
CID 82842950
1-cyclohexylsulfonyl-4-methylazepan-4-ol
CID 107406961
1-butylsulfonylpiperazine
CID 16769079
N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
CID 107404128
1-butylsulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149529
1-butylsulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595633
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-methylazepan-4-ol?
The IUPAC name of 1-butylsulfonyl-4-methylazepan-4-ol (CID 107407120) is 1-butylsulfonyl-4-methylazepan-4-ol.
What is the SMILES notation for 1-butylsulfonyl-4-methylazepan-4-ol?
The canonical SMILES for 1-butylsulfonyl-4-methylazepan-4-ol is CCCCS(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 1-butylsulfonyl-4-methylazepan-4-ol?
The InChIKey is USHHNJKMEGPWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-4-10-16(14,15)12-8-5-6-11(2,13)7-9-12/h13H,3-10H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-methylazepan-4-ol?
1-butylsulfonyl-4-methylazepan-4-ol has a molecular weight of 249.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-methylazepan-4-ol is sourced from PubChem (CID 107407120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).