5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide

C15H21N3OS — CID 144986677

IUPAC5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide
SMILESCN(C)CCN(C)c1cccc2c(S(N)=O)cccc12
InChIInChI=1S/C15H21N3OS/c1-17(2)10-11-18(3)14-8-4-7-13-12(14)6-5-9-15(13)20(16)19/h4-9H,10-11,16H2,1-3H3
InChIKeySMGKACGWMHMKMB-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.82
Rot. Bonds5

About 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide

5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide (PubChem CID 144986677) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide
PubChem CID144986677
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide
SMILESCN(C)CCN(C)c1cccc2c(S(N)=O)cccc12
InChIInChI=1S/C15H21N3OS/c1-17(2)10-11-18(3)14-8-4-7-13-12(14)6-5-9-15(13)20(16)19/h4-9H,10-11,16H2,1-3H3
InChIKeySMGKACGWMHMKMB-UHFFFAOYSA-N
XLogP1.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide?
The IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide (CID 144986677) is 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide is CN(C)CCN(C)c1cccc2c(S(N)=O)cccc12.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide?
The InChIKey is SMGKACGWMHMKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-17(2)10-11-18(3)14-8-4-7-13-12(14)6-5-9-15(13)20(16)19/h4-9H,10-11,16H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide?
5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide has a molecular weight of 291.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfinamide is sourced from PubChem (CID 144986677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).