(7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide

C11H16N2O2S — CID 67791947

IUPAC(7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide
SMILESNC1CCC2=C(C1)C(=CS(N)(=O)=O)CC=C2
InChIInChI=1S/C11H16N2O2S/c12-10-5-4-8-2-1-3-9(11(8)6-10)7-16(13,14)15/h1-2,7,10H,3-6,12H2,(H2,13,14,15)
InChIKeyNHEPXRBBBUULNK-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.93
Rot. Bonds1

About (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide

(7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide (PubChem CID 67791947) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide.

Molecular Properties

Compound Name(7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide
PubChem CID67791947
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide
SMILESNC1CCC2=C(C1)C(=CS(N)(=O)=O)CC=C2
InChIInChI=1S/C11H16N2O2S/c12-10-5-4-8-2-1-3-9(11(8)6-10)7-16(13,14)15/h1-2,7,10H,3-6,12H2,(H2,13,14,15)
InChIKeyNHEPXRBBBUULNK-UHFFFAOYSA-N
XLogP0.93
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide?
The IUPAC name of (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide (CID 67791947) is (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide.
What is the SMILES notation for (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide?
The canonical SMILES for (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide is NC1CCC2=C(C1)C(=CS(N)(=O)=O)CC=C2.
What is the InChIKey of (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide?
The InChIKey is NHEPXRBBBUULNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-10-5-4-8-2-1-3-9(11(8)6-10)7-16(13,14)15/h1-2,7,10H,3-6,12H2,(H2,13,14,15).
What are the key properties of (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide?
(7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide is sourced from PubChem (CID 67791947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).