1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide

C15H22N2O2S — CID 61482657

IUPAC1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H22N2O2S/c16-9-11-2-1-3-12(8-11)10-20(18,19)17-15(13-4-5-13)14-6-7-14/h1-3,8,13-15,17H,4-7,9-10,16H2
InChIKeyVGGYGQWDZVOVME-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.75
Rot. Bonds7

About 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide (PubChem CID 61482657) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
PubChem CID61482657
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H22N2O2S/c16-9-11-2-1-3-12(8-11)10-20(18,19)17-15(13-4-5-13)14-6-7-14/h1-3,8,13-15,17H,4-7,9-10,16H2
InChIKeyVGGYGQWDZVOVME-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61482582
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-(thiolan-3-ylmethyl)methanesulfonamide
CID 106089007
1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 61473582
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
CID 106217431
1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
CID 61462630

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide (CID 61482657) is 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide is NCc1cccc(CS(=O)(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide?
The InChIKey is VGGYGQWDZVOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-9-11-2-1-3-12(8-11)10-20(18,19)17-15(13-4-5-13)14-6-7-14/h1-3,8,13-15,17H,4-7,9-10,16H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide is sourced from PubChem (CID 61482657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).