N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C13H20N2O2S2 — CID 106067705

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CC3CCC2C3)cs1
InChIInChI=1S/C13H20N2O2S2/c1-14-7-11-6-12(8-18-11)19(16,17)15-13-5-9-2-3-10(13)4-9/h6,8-10,13-15H,2-5,7H2,1H3
InChIKeyKAJPZRCZODCEMN-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.93
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106067705) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106067705
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CC3CCC2C3)cs1
InChIInChI=1S/C13H20N2O2S2/c1-14-7-11-6-12(8-18-11)19(16,17)15-13-5-9-2-3-10(13)4-9/h6,8-10,13-15H,2-5,7H2,1H3
InChIKeyKAJPZRCZODCEMN-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106067708
N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067802
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067360
5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106089898
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087840
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106065925
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
CID 106072802
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106067705) is N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CC3CCC2C3)cs1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is KAJPZRCZODCEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-14-7-11-6-12(8-18-11)19(16,17)15-13-5-9-2-3-10(13)4-9/h6,8-10,13-15H,2-5,7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.93, 5 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]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106067705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).