1-(1-methylsulfonylazepan-2-yl)propan-2-ol

C10H21NO3S — CID 79559855

IUPAC1-(1-methylsulfonylazepan-2-yl)propan-2-ol
SMILESCC(O)CC1CCCCCN1S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9(12)8-10-6-4-3-5-7-11(10)15(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyYLNYHBGJHHLOBB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds3

About 1-(1-methylsulfonylazepan-2-yl)propan-2-ol

1-(1-methylsulfonylazepan-2-yl)propan-2-ol (PubChem CID 79559855) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1-methylsulfonylazepan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylsulfonylazepan-2-yl)propan-2-ol
PubChem CID79559855
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(1-methylsulfonylazepan-2-yl)propan-2-ol
SMILESCC(O)CC1CCCCCN1S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9(12)8-10-6-4-3-5-7-11(10)15(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyYLNYHBGJHHLOBB-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 114809952
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
methyl N-[2-(2-hydroxypropyl)azepan-1-yl]sulfonylcarbamate
CID 114464433
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol
CID 79594908
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol
CID 79559692
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
CID 79541603

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylazepan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-methylsulfonylazepan-2-yl)propan-2-ol (CID 79559855) is 1-(1-methylsulfonylazepan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methylsulfonylazepan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-methylsulfonylazepan-2-yl)propan-2-ol is CC(O)CC1CCCCCN1S(C)(=O)=O.
What is the InChIKey of 1-(1-methylsulfonylazepan-2-yl)propan-2-ol?
The InChIKey is YLNYHBGJHHLOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(12)8-10-6-4-3-5-7-11(10)15(2,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylazepan-2-yl)propan-2-ol?
1-(1-methylsulfonylazepan-2-yl)propan-2-ol has a molecular weight of 235.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylazepan-2-yl)propan-2-ol is sourced from PubChem (CID 79559855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).