N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide

C13H22N2O2S — CID 54939449

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)Cc1ccccc1CN
InChIInChI=1S/C13H22N2O2S/c1-3-4-9-18(16,17)15(2)11-13-8-6-5-7-12(13)10-14/h5-8H,3-4,9-11,14H2,1-2H3
InChIKeyIZJVSDNZJLQTSA-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.71
Rot. Bonds7

About N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide (PubChem CID 54939449) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide
PubChem CID54939449
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)Cc1ccccc1CN
InChIInChI=1S/C13H22N2O2S/c1-3-4-9-18(16,17)15(2)11-13-8-6-5-7-12(13)10-14/h5-8H,3-4,9-11,14H2,1-2H3
InChIKeyIZJVSDNZJLQTSA-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 54952198
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CID 54966428
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propane-1-sulfonamide
CID 43653867
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide
CID 71996846
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide
CID 60922991
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide
CID 62047698
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide
CID 55009541
N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide
CID 71996836
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-butylpropanamide
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2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide (CID 54939449) is N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide?
The InChIKey is IZJVSDNZJLQTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-4-9-18(16,17)15(2)11-13-8-6-5-7-12(13)10-14/h5-8H,3-4,9-11,14H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 54939449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).