3-(aminomethyl)-N,N-dipropylbenzenesulfonamide

C13H22N2O2S — CID 16791515

IUPAC3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C13H22N2O2S/c1-3-8-15(9-4-2)18(16,17)13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9,11,14H2,1-2H3
InChIKeyAFNSNFJOMWKPEU-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.96
Rot. Bonds7

About 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide

3-(aminomethyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 16791515) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
PubChem CID16791515
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C13H22N2O2S/c1-3-8-15(9-4-2)18(16,17)13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9,11,14H2,1-2H3
InChIKeyAFNSNFJOMWKPEU-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
N,N-dipropylbenzenesulfonamide
CID 4053954
(3-propylsulfonylphenyl)methanamine
CID 83926717
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 28716397
4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 79186743
2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
CID 43374208
3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide (CID 16791515) is 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is AFNSNFJOMWKPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-8-15(9-4-2)18(16,17)13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9,11,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide?
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 16791515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).