N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine

C13H18Cl2N2S — CID 63301823

IUPACN-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine
SMILESCN(CCSc1cc(Cl)ccc1Cl)C1CCNC1
InChIInChI=1S/C13H18Cl2N2S/c1-17(11-4-5-16-9-11)6-7-18-13-8-10(14)2-3-12(13)15/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyNQVIYDNXSSIEMA-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine

N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine (PubChem CID 63301823) has the molecular formula C13H18Cl2N2S and a molecular weight of 305.27 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine
PubChem CID63301823
Molecular FormulaC13H18Cl2N2S
Molecular Weight305.27 g/mol
Exact Mass304.06
IUPAC NameN-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine
SMILESCN(CCSc1cc(Cl)ccc1Cl)C1CCNC1
InChIInChI=1S/C13H18Cl2N2S/c1-17(11-4-5-16-9-11)6-7-18-13-8-10(14)2-3-12(13)15/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyNQVIYDNXSSIEMA-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266412
N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine
CID 62685895
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551541
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
1-[2-(2,5-dichlorophenyl)sulfanylethyl]piperazine-2-carbonitrile
CID 79085341
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine (CID 63301823) is N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine is CN(CCSc1cc(Cl)ccc1Cl)C1CCNC1.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is NQVIYDNXSSIEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2S/c1-17(11-4-5-16-9-11)6-7-18-13-8-10(14)2-3-12(13)15/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine?
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 305.27 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63301823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).