N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine

C10H11Cl2NS — CID 117032940

IUPACN-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine
SMILESClc1ccc(SCNC2CC2)cc1Cl
InChIInChI=1S/C10H11Cl2NS/c11-9-4-3-8(5-10(9)12)14-6-13-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyIESNRGFGADBPII-UHFFFAOYSA-N
MW248.18 g/mol
LogP3.80
Rot. Bonds4

About N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine

N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine (PubChem CID 117032940) has the molecular formula C10H11Cl2NS and a molecular weight of 248.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine
PubChem CID117032940
Molecular FormulaC10H11Cl2NS
Molecular Weight248.18 g/mol
Exact Mass247.00
IUPAC NameN-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine
SMILESClc1ccc(SCNC2CC2)cc1Cl
InChIInChI=1S/C10H11Cl2NS/c11-9-4-3-8(5-10(9)12)14-6-13-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyIESNRGFGADBPII-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160799
N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032941
1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene
CID 517877
N-[[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 114864936
N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032934
N-[[3-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 106534221
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
CID 104755863
N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine
CID 117032952
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol
CID 79638931
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine (CID 117032940) is N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine is Clc1ccc(SCNC2CC2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine?
The InChIKey is IESNRGFGADBPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NS/c11-9-4-3-8(5-10(9)12)14-6-13-7-1-2-7/h3-5,7,13H,1-2,6H2.
What are the key properties of N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine?
N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine has a molecular weight of 248.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine is sourced from PubChem (CID 117032940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).