N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide

C16H26N2O2S — CID 43507135

IUPACN-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-3-17-13(2)15-9-6-10-16(11-15)21(19,20)18-12-14-7-4-5-8-14/h6,9-11,13-14,17-18H,3-5,7-8,12H2,1-2H3
InChIKeyHDTKZTYPFFLDMF-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.83
Rot. Bonds7

About N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide

N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide (PubChem CID 43507135) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
PubChem CID43507135
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-3-17-13(2)15-9-6-10-16(11-15)21(19,20)18-12-14-7-4-5-8-14/h6,9-11,13-14,17-18H,3-5,7-8,12H2,1-2H3
InChIKeyHDTKZTYPFFLDMF-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide (CID 43507135) is N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)NCC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The InChIKey is HDTKZTYPFFLDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-17-13(2)15-9-6-10-16(11-15)21(19,20)18-12-14-7-4-5-8-14/h6,9-11,13-14,17-18H,3-5,7-8,12H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43507135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).