N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine

C12H17NO2S — CID 64659518

IUPACN-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine
SMILESCOc1cccc(S(=O)CCNC2CC2)c1
InChIInChI=1S/C12H17NO2S/c1-15-11-3-2-4-12(9-11)16(14)8-7-13-10-5-6-10/h2-4,9-10,13H,5-8H2,1H3
InChIKeyUNPFOGNNFRLWKT-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.55
Rot. Bonds6

About N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine

N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine (PubChem CID 64659518) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine
PubChem CID64659518
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine
SMILESCOc1cccc(S(=O)CCNC2CC2)c1
InChIInChI=1S/C12H17NO2S/c1-15-11-3-2-4-12(9-11)16(14)8-7-13-10-5-6-10/h2-4,9-10,13H,5-8H2,1H3
InChIKeyUNPFOGNNFRLWKT-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
1-(cyclopentylmethylsulfinyl)-3-methoxybenzene
CID 75515923
N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-2-amine
CID 64659145
N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64659343
4-(3-methoxyphenyl)sulfinylbutanoic acid
CID 61304341
N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
5-(3-methoxyphenyl)sulfinylpentanenitrile
CID 63791056
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
CID 61302237
6-(3-methoxyphenyl)sulfinylhexan-3-amine
CID 106807932

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine (CID 64659518) is N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine is COc1cccc(S(=O)CCNC2CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine?
The InChIKey is UNPFOGNNFRLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-11-3-2-4-12(9-11)16(14)8-7-13-10-5-6-10/h2-4,9-10,13H,5-8H2,1H3.
What are the key properties of N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine?
N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine has a molecular weight of 239.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine is sourced from PubChem (CID 64659518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).