3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine

C21H31N3O3S — CID 91028187

IUPAC3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)C3C(N)CC(C)(C)N(O)C3(C)C)cccc12
InChIInChI=1S/C21H31N3O3S/c1-20(2)13-16(22)19(21(3,4)24(20)25)28(26,27)18-12-8-9-14-15(18)10-7-11-17(14)23(5)6/h7-12,16,19,25H,13,22H2,1-6H3
InChIKeySOSYDGDJDCTCJK-UHFFFAOYSA-N
MW405.56 g/mol
LogP3.03
Rot. Bonds3

About 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine

3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 91028187) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound Name3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID91028187
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC Name3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)C3C(N)CC(C)(C)N(O)C3(C)C)cccc12
InChIInChI=1S/C21H31N3O3S/c1-20(2)13-16(22)19(21(3,4)24(20)25)28(26,27)18-12-8-9-14-15(18)10-7-11-17(14)23(5)6/h7-12,16,19,25H,13,22H2,1-6H3
InChIKeySOSYDGDJDCTCJK-UHFFFAOYSA-N
XLogP3.03
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine (CID 91028187) is 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine is CN(C)c1cccc2c(S(=O)(=O)C3C(N)CC(C)(C)N(O)C3(C)C)cccc12.
What is the InChIKey of 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is SOSYDGDJDCTCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3S/c1-20(2)13-16(22)19(21(3,4)24(20)25)28(26,27)18-12-8-9-14-15(18)10-7-11-17(14)23(5)6/h7-12,16,19,25H,13,22H2,1-6H3.
What are the key properties of 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine?
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 405.56 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 91028187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).