4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol

C11H22N2O3S — CID 107407041

IUPAC4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
SMILESCC1(O)CCCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-11(14)5-4-9-13(10-6-11)17(15,16)12-7-2-3-8-12/h14H,2-10H2,1H3
InChIKeyFVQUZWMEOQLPRU-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.56
Rot. Bonds2

About 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol

4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol (PubChem CID 107407041) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
PubChem CID107407041
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
SMILESCC1(O)CCCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-11(14)5-4-9-13(10-6-11)17(15,16)12-7-2-3-8-12/h14H,2-10H2,1H3
InChIKeyFVQUZWMEOQLPRU-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol?
The IUPAC name of 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol (CID 107407041) is 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol.
What is the SMILES notation for 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol?
The canonical SMILES for 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol is CC1(O)CCCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol?
The InChIKey is FVQUZWMEOQLPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(14)5-4-9-13(10-6-11)17(15,16)12-7-2-3-8-12/h14H,2-10H2,1H3.
What are the key properties of 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol?
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol has a molecular weight of 262.37 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol is sourced from PubChem (CID 107407041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).