3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine

C12H18N2O2S — CID 116937380

IUPAC3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
SMILESCS(=O)(=O)c1ccc(C(N)C2CC(N)C2)cc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)11-4-2-8(3-5-11)12(14)9-6-10(13)7-9/h2-5,9-10,12H,6-7,13-14H2,1H3
InChIKeyUVWZOGOKGDYWPP-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.83
Rot. Bonds3

About 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine

3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116937380) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
PubChem CID116937380
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
SMILESCS(=O)(=O)c1ccc(C(N)C2CC(N)C2)cc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)11-4-2-8(3-5-11)12(14)9-6-10(13)7-9/h2-5,9-10,12H,6-7,13-14H2,1H3
InChIKeyUVWZOGOKGDYWPP-UHFFFAOYSA-N
XLogP0.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
CID 96674488
cyclopropyl-(4-ethylsulfonylphenyl)methanamine
CID 71015786
(1S)-3,3-difluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171312805
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine
CID 104988816
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
1-N-[(4-methylsulfonylphenyl)methyl]cyclobutane-1,3-diamine
CID 80560489
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine
CID 104986583
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171198392

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine (CID 116937380) is 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine is CS(=O)(=O)c1ccc(C(N)C2CC(N)C2)cc1.
What is the InChIKey of 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is UVWZOGOKGDYWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17(15,16)11-4-2-8(3-5-11)12(14)9-6-10(13)7-9/h2-5,9-10,12H,6-7,13-14H2,1H3.
What are the key properties of 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine?
3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 254.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).