N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide

C16H22N2OS — CID 143166052

IUPACN-butyl-5-(dimethylamino)naphthalene-1-sulfinamide
SMILESCCCCNS(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C16H22N2OS/c1-4-5-12-17-20(19)16-11-7-8-13-14(16)9-6-10-15(13)18(2)3/h6-11,17H,4-5,12H2,1-3H3
InChIKeyACMAKXFPBBUPKH-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.32
Rot. Bonds6

About N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide

N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide (PubChem CID 143166052) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide.

Molecular Properties

Compound NameN-butyl-5-(dimethylamino)naphthalene-1-sulfinamide
PubChem CID143166052
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-butyl-5-(dimethylamino)naphthalene-1-sulfinamide
SMILESCCCCNS(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C16H22N2OS/c1-4-5-12-17-20(19)16-11-7-8-13-14(16)9-6-10-15(13)18(2)3/h6-11,17H,4-5,12H2,1-3H3
InChIKeyACMAKXFPBBUPKH-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide?
The IUPAC name of N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide (CID 143166052) is N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide.
What is the SMILES notation for N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide?
The canonical SMILES for N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide is CCCCNS(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide?
The InChIKey is ACMAKXFPBBUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-5-12-17-20(19)16-11-7-8-13-14(16)9-6-10-15(13)18(2)3/h6-11,17H,4-5,12H2,1-3H3.
What are the key properties of N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide?
N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide has a molecular weight of 290.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide is sourced from PubChem (CID 143166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).