3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile

C11H13ClN2S — CID 62647536

IUPAC3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)CSc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2S/c1-2-14-10(7-13)8-15-11-5-3-4-9(12)6-11/h3-6,10,14H,2,8H2,1H3
InChIKeyPZFRECRVKPRYSI-UHFFFAOYSA-N
MW240.76 g/mol
LogP2.93
Rot. Bonds5

About 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile

3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile (PubChem CID 62647536) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
PubChem CID62647536
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)CSc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2S/c1-2-14-10(7-13)8-15-11-5-3-4-9(12)6-11/h3-6,10,14H,2,8H2,1H3
InChIKeyPZFRECRVKPRYSI-UHFFFAOYSA-N
XLogP2.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile
CID 64537162
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
ethyl 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanoate
CID 55101614
1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine
CID 66147897
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
2-amino-4-(3-chlorophenyl)sulfanylbutanenitrile
CID 63053572
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280
3-(3-bromophenyl)sulfanyl-2-(propan-2-ylamino)propanenitrile
CID 62804989
2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
CID 63053903

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile (CID 62647536) is 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile is CCNC(C#N)CSc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile?
The InChIKey is PZFRECRVKPRYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-2-14-10(7-13)8-15-11-5-3-4-9(12)6-11/h3-6,10,14H,2,8H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile?
3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile has a molecular weight of 240.76 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile is sourced from PubChem (CID 62647536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).