N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride

C12H17Cl3N2OS — CID 119582804

IUPACN-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CSc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2OS.ClH/c1-8(6-15)16(2)12(17)7-18-11-5-9(13)3-4-10(11)14;/h3-5,8H,6-7,15H2,1-2H3;1H
InChIKeyRWQRMHFBORLSAE-UHFFFAOYSA-N
MW343.71 g/mol
LogP3.31
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride (PubChem CID 119582804) has the molecular formula C12H17Cl3N2OS and a molecular weight of 343.71 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
PubChem CID119582804
Molecular FormulaC12H17Cl3N2OS
Molecular Weight343.71 g/mol
Exact Mass342.01
IUPAC NameN-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CSc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2OS.ClH/c1-8(6-15)16(2)12(17)7-18-11-5-9(13)3-4-10(11)14;/h3-5,8H,6-7,15H2,1-2H3;1H
InChIKeyRWQRMHFBORLSAE-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.71
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methylacetamide
CID 119582608
N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119581746
N-(1-aminopropan-2-yl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methylacetamide;hydrochloride
CID 119581860
2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79133437
N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119582322
N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119581253
N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide
CID 119582831
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 9167168
N-(1-aminopropan-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119584496
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
CID 60558573
N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119582463

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride (CID 119582804) is N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride is CC(CN)N(C)C(=O)CSc1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride?
The InChIKey is RWQRMHFBORLSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2OS.ClH/c1-8(6-15)16(2)12(17)7-18-11-5-9(13)3-4-10(11)14;/h3-5,8H,6-7,15H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride has a molecular weight of 343.71 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119582804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).