N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine

C12H17NS — CID 117032934

IUPACN-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine
SMILESCCc1ccc(SCNC2CC2)cc1
InChIInChI=1S/C12H17NS/c1-2-10-3-7-12(8-4-10)14-9-13-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9H2,1H3
InChIKeyAESDXPPGMKWSGT-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine

N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine (PubChem CID 117032934) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine
PubChem CID117032934
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine
SMILESCCc1ccc(SCNC2CC2)cc1
InChIInChI=1S/C12H17NS/c1-2-10-3-7-12(8-4-10)14-9-13-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9H2,1H3
InChIKeyAESDXPPGMKWSGT-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.05
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-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine
CID 117032940
N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032941
N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 81015305
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786
3-[[4-[(cyclopropylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497079
N-[[4-(3-ethylsulfanylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 113474406
1-(chloromethylsulfanyl)-4-ethylbenzene
CID 91880557
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
N-cyclopropyl-N'-(4-ethylsulfanylphenyl)ethane-1,2-diamine
CID 115206764
N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805871

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine?
The IUPAC name of N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine (CID 117032934) is N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine?
The canonical SMILES for N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine is CCc1ccc(SCNC2CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine?
The InChIKey is AESDXPPGMKWSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-10-3-7-12(8-4-10)14-9-13-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9H2,1H3.
What are the key properties of N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine?
N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine has a molecular weight of 207.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine is sourced from PubChem (CID 117032934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).