1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine

C10H14N2O2S — CID 43598792

IUPAC1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine
SMILESCS(=O)(=O)c1ccc(NC2CC2N)cc1
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)8-4-2-7(3-5-8)12-10-6-9(10)11/h2-5,9-10,12H,6,11H2,1H3
InChIKeyOZEFSGZAZOIZBJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.60
Rot. Bonds3

About 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine

1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine (PubChem CID 43598792) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine
PubChem CID43598792
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine
SMILESCS(=O)(=O)c1ccc(NC2CC2N)cc1
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)8-4-2-7(3-5-8)12-10-6-9(10)11/h2-5,9-10,12H,6,11H2,1H3
InChIKeyOZEFSGZAZOIZBJ-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14612854
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
Thiol-aryl sulfone, 13
CID 25138253
Thiol-aryl sulfone, 16
CID 25138254
3-amino-4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 121334953
4-[4-(Methylamino)phenyl]sulfonylaniline
CID 504062
N-Methyl-2-(methylsulfonyl)benzenamine
CID 14196351
N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine
CID 703518
1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine
CID 2782730

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine?
The IUPAC name of 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine (CID 43598792) is 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine?
The canonical SMILES for 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine is CS(=O)(=O)c1ccc(NC2CC2N)cc1.
What is the InChIKey of 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine?
The InChIKey is OZEFSGZAZOIZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-15(13,14)8-4-2-7(3-5-8)12-10-6-9(10)11/h2-5,9-10,12H,6,11H2,1H3.
What are the key properties of 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine?
1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine has a molecular weight of 226.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine is sourced from PubChem (CID 43598792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).