N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine

C13H19NO3S — CID 117036429

IUPACN-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)CNC1CC1
InChIInChI=1S/C13H19NO3S/c1-9-6-12(17-3)13(7-10(9)2)18(15,16)8-14-11-4-5-11/h6-7,11,14H,4-5,8H2,1-3H3
InChIKeyZMFSCGKOJWABMN-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.80
Rot. Bonds5

About N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine

N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine (PubChem CID 117036429) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine
PubChem CID117036429
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)CNC1CC1
InChIInChI=1S/C13H19NO3S/c1-9-6-12(17-3)13(7-10(9)2)18(15,16)8-14-11-4-5-11/h6-7,11,14H,4-5,8H2,1-3H3
InChIKeyZMFSCGKOJWABMN-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine
CID 117036146
(2-methoxy-4,5-dimethylphenyl)sulfonylmethanethiol
CID 117036874
N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine
CID 117036414
2-(2-methoxy-4,5-dimethylphenyl)sulfonylacetonitrile
CID 28753057
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 98784307
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine
CID 116935201
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine?
The IUPAC name of N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine (CID 117036429) is N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine?
The canonical SMILES for N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine is COc1cc(C)c(C)cc1S(=O)(=O)CNC1CC1.
What is the InChIKey of N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine?
The InChIKey is ZMFSCGKOJWABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-6-12(17-3)13(7-10(9)2)18(15,16)8-14-11-4-5-11/h6-7,11,14H,4-5,8H2,1-3H3.
What are the key properties of N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine?
N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine has a molecular weight of 269.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine is sourced from PubChem (CID 117036429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).