N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide

C15H17NOS — CID 115167807

IUPACN-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide
SMILESCc1ccc2cc(N(C)C(=O)CCS)ccc2c1
InChIInChI=1S/C15H17NOS/c1-11-3-4-13-10-14(6-5-12(13)9-11)16(2)15(17)7-8-18/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyNCDRTTQZPHSFIW-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.43
Rot. Bonds3

About N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide

N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide (PubChem CID 115167807) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide
PubChem CID115167807
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide
SMILESCc1ccc2cc(N(C)C(=O)CCS)ccc2c1
InChIInChI=1S/C15H17NOS/c1-11-3-4-13-10-14(6-5-12(13)9-11)16(2)15(17)7-8-18/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyNCDRTTQZPHSFIW-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-methyl-N-(6-methylnaphthalen-2-yl)acetamide
CID 115157845
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
3-amino-1-methyl-1-(6-methylnaphthalen-2-yl)urea
CID 115192582
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
3-(furan-2-yl)-N-methyl-N-naphthalen-2-ylpropanamide
CID 8851932
2,2-dimethyl-N-[3-[methyl(naphthalen-2-yl)amino]-3-oxopropyl]propanamide
CID 134022464
3-(diethylamino)-N-methyl-N-(4-methylphenyl)propanamide
CID 58662059
2-(cyclopropylamino)-N-methyl-N-naphthalen-2-ylacetamide
CID 115158419

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide?
The IUPAC name of N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide (CID 115167807) is N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide is Cc1ccc2cc(N(C)C(=O)CCS)ccc2c1.
What is the InChIKey of N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide?
The InChIKey is NCDRTTQZPHSFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-3-4-13-10-14(6-5-12(13)9-11)16(2)15(17)7-8-18/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide?
N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide has a molecular weight of 259.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 115167807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).