[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine

C12H25N3O2S — CID 43605341

IUPAC[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C12H25N3O2S/c13-11-12-5-9-15(10-6-12)18(16,17)14-7-3-1-2-4-8-14/h12H,1-11,13H2
InChIKeyFLHIIPOCQOTRHM-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.78
Rot. Bonds3

About [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine

[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 43605341) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine
PubChem CID43605341
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C12H25N3O2S/c13-11-12-5-9-15(10-6-12)18(16,17)14-7-3-1-2-4-8-14/h12H,1-11,13H2
InChIKeyFLHIIPOCQOTRHM-UHFFFAOYSA-N
XLogP0.78
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine (CID 43605341) is [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is FLHIIPOCQOTRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c13-11-12-5-9-15(10-6-12)18(16,17)14-7-3-1-2-4-8-14/h12H,1-11,13H2.
What are the key properties of [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine?
[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 275.42 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-1-ylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 43605341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).