N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide

C18H24N2OS — CID 145138090

IUPACN-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NSc1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H24N2OS/c1-13(2)11-12-18(21)19-22-17-10-6-7-14-15(17)8-5-9-16(14)20(3)4/h5-10,13H,11-12H2,1-4H3,(H,19,21)
InChIKeySQFGNVYNXQGYGO-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.47
Rot. Bonds6

About N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide

N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide (PubChem CID 145138090) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide
PubChem CID145138090
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NSc1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H24N2OS/c1-13(2)11-12-18(21)19-22-17-10-6-7-14-15(17)8-5-9-16(14)20(3)4/h5-10,13H,11-12H2,1-4H3,(H,19,21)
InChIKeySQFGNVYNXQGYGO-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide
CID 156791374
N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide
CID 145138095
6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide
CID 87562715
5-[[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]phenyl]-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 168950480
N,N-dimethyl-5-(2-phenylethylsulfanyl)naphthalen-1-amine
CID 175319076
methyl (2S)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-methylpropanoate
CID 100613997
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate
CID 57495429
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxy-3,3-ditritiopropanoic acid
CID 10759723
methyl (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate
CID 25041921
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide?
The IUPAC name of N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide (CID 145138090) is N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide.
What is the SMILES notation for N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide?
The canonical SMILES for N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide is CC(C)CCC(=O)NSc1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide?
The InChIKey is SQFGNVYNXQGYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13(2)11-12-18(21)19-22-17-10-6-7-14-15(17)8-5-9-16(14)20(3)4/h5-10,13H,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide?
N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide has a molecular weight of 316.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide is sourced from PubChem (CID 145138090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).