(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine

C17H22N2O3S — CID 120718734

IUPAC(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc3ccccc3c2)C(CN)C1
InChIInChI=1S/C17H22N2O3S/c1-22-16-8-9-19(15(11-16)12-18)23(20,21)17-7-6-13-4-2-3-5-14(13)10-17/h2-7,10,15-16H,8-9,11-12,18H2,1H3
InChIKeyRPFIPKGRDRNKRZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.97
Rot. Bonds4

About (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine

(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine (PubChem CID 120718734) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
PubChem CID120718734
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc3ccccc3c2)C(CN)C1
InChIInChI=1S/C17H22N2O3S/c1-22-16-8-9-19(15(11-16)12-18)23(20,21)17-7-6-13-4-2-3-5-14(13)10-17/h2-7,10,15-16H,8-9,11-12,18H2,1H3
InChIKeyRPFIPKGRDRNKRZ-UHFFFAOYSA-N
XLogP1.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine?
The IUPAC name of (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine (CID 120718734) is (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine?
The canonical SMILES for (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine is COC1CCN(S(=O)(=O)c2ccc3ccccc3c2)C(CN)C1.
What is the InChIKey of (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine?
The InChIKey is RPFIPKGRDRNKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-22-16-8-9-19(15(11-16)12-18)23(20,21)17-7-6-13-4-2-3-5-14(13)10-17/h2-7,10,15-16H,8-9,11-12,18H2,1H3.
What are the key properties of (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine?
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine has a molecular weight of 334.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine is sourced from PubChem (CID 120718734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).