N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide

C13H22N2O2S — CID 43136951

IUPACN-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CCCN)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H22N2O2S/c1-3-10-15(11-4-9-14)18(16,17)13-7-5-12(2)6-8-13/h5-8H,3-4,9-11,14H2,1-2H3
InChIKeyDPFBALXGYOQKSC-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.74
Rot. Bonds7

About N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide

N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide (PubChem CID 43136951) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
PubChem CID43136951
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CCCN)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H22N2O2S/c1-3-10-15(11-4-9-14)18(16,17)13-7-5-12(2)6-8-13/h5-8H,3-4,9-11,14H2,1-2H3
InChIKeyDPFBALXGYOQKSC-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-(3-aminopropyl)-N-[4-[3-aminopropyl-(4-methylphenyl)sulfonylamino]-3,3-difluorobutyl]-4-methylbenzenesulfonamide
CID 21288462
4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide
CID 162429714
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
sodium 2-[(4-methylphenyl)sulfonyl-propylamino]ethyl sulfate
CID 59872860
N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
CID 171730221

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide (CID 43136951) is N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide is CCCN(CCCN)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is DPFBALXGYOQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-10-15(11-4-9-14)18(16,17)13-7-5-12(2)6-8-13/h5-8H,3-4,9-11,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide?
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 43136951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).