N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

C15H24N2O2S2 — CID 106064066

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H24N2O2S2/c1-2-16-10-14-15(5-6-20-14)21(18,19)17-9-13-8-11-3-4-12(13)7-11/h5-6,11-13,16-17H,2-4,7-10H2,1H3
InChIKeyNUZPUQRTJDHOAW-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.57
Rot. Bonds7

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106064066) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
PubChem CID106064066
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H24N2O2S2/c1-2-16-10-14-15(5-6-20-14)21(18,19)17-9-13-8-11-3-4-12(13)7-11/h5-6,11-13,16-17H,2-4,7-10H2,1H3
InChIKeyNUZPUQRTJDHOAW-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088333
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
CID 106093062
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
CID 63689393
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
CID 106064052
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide
CID 106064039
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide
CID 40597436

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (CID 106064066) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is NUZPUQRTJDHOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-2-16-10-14-15(5-6-20-14)21(18,19)17-9-13-8-11-3-4-12(13)7-11/h5-6,11-13,16-17H,2-4,7-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106064066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).