[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine

C14H19NO2S — CID 117417974

IUPAC[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccccc2S(=O)(=O)C2CCC2)CC1
InChIInChI=1S/C14H19NO2S/c15-10-14(8-9-14)12-6-1-2-7-13(12)18(16,17)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10,15H2
InChIKeyMWZIUTVNEMFASG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.00
Rot. Bonds4

About [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine

[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine (PubChem CID 117417974) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine
PubChem CID117417974
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccccc2S(=O)(=O)C2CCC2)CC1
InChIInChI=1S/C14H19NO2S/c15-10-14(8-9-14)12-6-1-2-7-13(12)18(16,17)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10,15H2
InChIKeyMWZIUTVNEMFASG-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine
CID 117473650
2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
CID 117391624
3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
CID 117421840
(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
2-[1-(aminomethyl)cyclopropyl]aniline
CID 82275316
[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
CID 117455576
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
CID 117479118
3-(2-cyclobutylsulfonylphenyl)propanoic acid
CID 117424665
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932
2-cyclopropylsulfonylbenzaldehyde
CID 84677789

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine (CID 117417974) is [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine is NCC1(c2ccccc2S(=O)(=O)C2CCC2)CC1.
What is the InChIKey of [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine?
The InChIKey is MWZIUTVNEMFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c15-10-14(8-9-14)12-6-1-2-7-13(12)18(16,17)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10,15H2.
What are the key properties of [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine?
[1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclobutylsulfonylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117417974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).