N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide

C16H28N2O2S — CID 63561312

IUPACN-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
SMILESCCCNC(CC)C(C)c1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C16H28N2O2S/c1-5-12-17-15(6-2)13(4)14-10-8-9-11-16(14)21(19,20)18-7-3/h8-11,13,15,17-18H,5-7,12H2,1-4H3
InChIKeyVMTQQOFPBNUJKQ-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.87
Rot. Bonds9

About N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide

N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide (PubChem CID 63561312) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
PubChem CID63561312
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
SMILESCCCNC(CC)C(C)c1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C16H28N2O2S/c1-5-12-17-15(6-2)13(4)14-10-8-9-11-16(14)21(19,20)18-7-3/h8-11,13,15,17-18H,5-7,12H2,1-4H3
InChIKeyVMTQQOFPBNUJKQ-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide
CID 63202001
2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
CID 63548795
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide
CID 63200269
N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63559977
N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
CID 63561329
N-propyl-2-quinolin-4-ylpentan-3-amine
CID 63560165
N-ethyl-2-iodobenzenesulfonamide
CID 626580
2-(2-bromophenyl)-N-ethylpentan-3-amine
CID 79308386
N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide
CID 174330760
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
2-(2-methylquinolin-4-yl)-N-propylpentan-3-amine
CID 63562253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide (CID 63561312) is N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide is CCCNC(CC)C(C)c1ccccc1S(=O)(=O)NCC.
What is the InChIKey of N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide?
The InChIKey is VMTQQOFPBNUJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-12-17-15(6-2)13(4)14-10-8-9-11-16(14)21(19,20)18-7-3/h8-11,13,15,17-18H,5-7,12H2,1-4H3.
What are the key properties of N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide?
N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 63561312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).