2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile

C16H18N2S — CID 63053903

IUPAC2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
SMILESCCNC(C#N)CCSc1ccc2ccccc2c1
InChIInChI=1S/C16H18N2S/c1-2-18-15(12-17)9-10-19-16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,18H,2,9-10H2,1H3
InChIKeyNNTAHZYYNAWAQM-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.82
Rot. Bonds6

About 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile

2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile (PubChem CID 63053903) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
PubChem CID63053903
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
SMILESCCNC(C#N)CCSc1ccc2ccccc2c1
InChIInChI=1S/C16H18N2S/c1-2-18-15(12-17)9-10-19-16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,18H,2,9-10H2,1H3
InChIKeyNNTAHZYYNAWAQM-UHFFFAOYSA-N
XLogP3.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
CID 63054084
4-(4-methoxyphenyl)sulfanyl-2-(propylamino)butanenitrile
CID 63054595
4-(1H-benzimidazol-2-ylsulfanyl)-2-(ethylamino)butanenitrile
CID 63053189
4-(4-fluorophenyl)sulfanyl-2-(propylamino)butanenitrile
CID 63055475
2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
CID 63027246
1-naphthalen-2-ylsulfanylpentan-3-amine
CID 153445073
2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile
CID 63054769
6-naphthalen-2-ylsulfanylhexan-3-amine
CID 106808319
3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 62647536
2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
CID 64648285
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
CID 63028831

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile?
The IUPAC name of 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile (CID 63053903) is 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile is CCNC(C#N)CCSc1ccc2ccccc2c1.
What is the InChIKey of 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile?
The InChIKey is NNTAHZYYNAWAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-18-15(12-17)9-10-19-16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,18H,2,9-10H2,1H3.
What are the key properties of 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile?
2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile has a molecular weight of 270.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile is sourced from PubChem (CID 63053903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).