1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine

C13H19NO3S — CID 117037485

IUPAC1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(S(=O)(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C13H19NO3S/c1-10-4-5-11(17-3)12(8-10)18(15,16)13(6-7-13)9-14-2/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyVNHNHPCUJNZBFM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds5

About 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine

1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine (PubChem CID 117037485) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine
PubChem CID117037485
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(S(=O)(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C13H19NO3S/c1-10-4-5-11(17-3)12(8-10)18(15,16)13(6-7-13)9-14-2/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyVNHNHPCUJNZBFM-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpropan-1-amine
CID 116853313
(2-methoxy-5-methylphenyl)sulfonylmethanol
CID 117036688
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246108
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine (CID 117037485) is 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine is CNCC1(S(=O)(=O)c2cc(C)ccc2OC)CC1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine?
The InChIKey is VNHNHPCUJNZBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-4-5-11(17-3)12(8-10)18(15,16)13(6-7-13)9-14-2/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine?
1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine has a molecular weight of 269.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 117037485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).