3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide

C15H18N2OS — CID 63957570

IUPAC3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
SMILESCSCCCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H18N2OS/c1-19-8-4-7-17-15(18)13-9-11-5-2-3-6-12(11)10-14(13)16/h2-3,5-6,9-10H,4,7-8,16H2,1H3,(H,17,18)
InChIKeyRLXQUWKWBRVCGC-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide

3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide (PubChem CID 63957570) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
PubChem CID63957570
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
SMILESCSCCCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H18N2OS/c1-19-8-4-7-17-15(18)13-9-11-5-2-3-6-12(11)10-14(13)16/h2-3,5-6,9-10H,4,7-8,16H2,1H3,(H,17,18)
InChIKeyRLXQUWKWBRVCGC-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
CID 114266969
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
CID 55101985
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
2-amino-N-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide (CID 63957570) is 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide is CSCCCNC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide?
The InChIKey is RLXQUWKWBRVCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-19-8-4-7-17-15(18)13-9-11-5-2-3-6-12(11)10-14(13)16/h2-3,5-6,9-10H,4,7-8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide?
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 63957570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).