N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide

C16H28N2O2S — CID 63560932

IUPACN,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
SMILESCCCNC(CC)C(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-12-17-16(7-2)13(3)14-8-10-15(11-9-14)21(19,20)18(4)5/h8-11,13,16-17H,6-7,12H2,1-5H3
InChIKeyNMDMGPPYPZJRDR-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.82
Rot. Bonds8

About N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide

N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide (PubChem CID 63560932) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
PubChem CID63560932
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
SMILESCCCNC(CC)C(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-12-17-16(7-2)13(3)14-8-10-15(11-9-14)21(19,20)18(4)5/h8-11,13,16-17H,6-7,12H2,1-5H3
InChIKeyNMDMGPPYPZJRDR-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383
N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine
CID 63561716
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
CID 63561329
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide
CID 63197602
N-methyl-N-(2-methylsulfanylethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 115986114
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
CID 64640406

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide (CID 63560932) is N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide is CCCNC(CC)C(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide?
The InChIKey is NMDMGPPYPZJRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-12-17-16(7-2)13(3)14-8-10-15(11-9-14)21(19,20)18(4)5/h8-11,13,16-17H,6-7,12H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide?
N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 63560932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).