1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine

C11H22N2O3S — CID 64560160

IUPAC1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
SMILESNC1CCCCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H22N2O3S/c12-11-6-2-1-3-7-13(11)17(14,15)9-10-5-4-8-16-10/h10-11H,1-9,12H2
InChIKeyKNGKYXXGCSFKLA-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.66
Rot. Bonds3

About 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine

1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine (PubChem CID 64560160) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
PubChem CID64560160
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
SMILESNC1CCCCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H22N2O3S/c12-11-6-2-1-3-7-13(11)17(14,15)9-10-5-4-8-16-10/h10-11H,1-9,12H2
InChIKeyKNGKYXXGCSFKLA-UHFFFAOYSA-N
XLogP0.66
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(oxolan-2-ylmethylsulfonyl)azepan-2-yl]methanamine
CID 116640178
1-(cyclopropylmethylsulfonyl)piperidin-2-amine
CID 64987724
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63877750
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine
CID 113415492
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-4-carboxylic acid
CID 106742431
3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 63247204
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine
CID 81217702
3-methyl-1-(oxan-2-ylmethylsulfonyl)piperidin-4-amine
CID 119983951
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine?
The IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine (CID 64560160) is 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine is NC1CCCCCN1S(=O)(=O)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine?
The InChIKey is KNGKYXXGCSFKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-11-6-2-1-3-7-13(11)17(14,15)9-10-5-4-8-16-10/h10-11H,1-9,12H2.
What are the key properties of 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine?
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine has a molecular weight of 262.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine is sourced from PubChem (CID 64560160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).