[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium

C14H19Cl2N2OS+ — CID 8909551

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
SMILESC[NH+](CCSc1cc(Cl)ccc1Cl)CC(=O)NC1CC1
InChIInChI=1S/C14H18Cl2N2OS/c1-18(9-14(19)17-11-3-4-11)6-7-20-13-8-10(15)2-5-12(13)16/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)/p+1
InChIKeyFNRQEDGAIDMLFL-UHFFFAOYSA-O
MW334.29 g/mol
LogP1.88
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium (PubChem CID 8909551) has the molecular formula C14H19Cl2N2OS+ and a molecular weight of 334.29 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
PubChem CID8909551
Molecular FormulaC14H19Cl2N2OS+
Molecular Weight334.29 g/mol
Exact Mass333.06
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
SMILESC[NH+](CCSc1cc(Cl)ccc1Cl)CC(=O)NC1CC1
InChIInChI=1S/C14H18Cl2N2OS/c1-18(9-14(19)17-11-3-4-11)6-7-20-13-8-10(15)2-5-12(13)16/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)/p+1
InChIKeyFNRQEDGAIDMLFL-UHFFFAOYSA-O
XLogP1.88
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053319
3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 55098398
N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
CID 8623361
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 66032727
2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8909346
(2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium
CID 9196799
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 9052711
2-cyano-N-cyclopropyl-4-(2,5-dichlorophenyl)sulfanyl-3-oxobutanamide
CID 91641622
2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol
CID 64807605
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053233
N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
CID 55489180

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium (CID 8909551) is [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium is C[NH+](CCSc1cc(Cl)ccc1Cl)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium?
The InChIKey is FNRQEDGAIDMLFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-18(9-14(19)17-11-3-4-11)6-7-20-13-8-10(15)2-5-12(13)16/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium has a molecular weight of 334.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium is sourced from PubChem (CID 8909551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).