5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide

C15H26N2O2S2 — CID 106002911

IUPAC5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCCCC2CC)cs1
InChIInChI=1S/C15H26N2O2S2/c1-3-12-7-5-6-8-15(12)17-21(18,19)14-9-13(20-11-14)10-16-4-2/h9,11-12,15-17H,3-8,10H2,1-2H3
InChIKeyLXIVLBNUHBFYGE-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.10
Rot. Bonds7

About 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide

5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide (PubChem CID 106002911) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide
PubChem CID106002911
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCCCC2CC)cs1
InChIInChI=1S/C15H26N2O2S2/c1-3-12-7-5-6-8-15(12)17-21(18,19)14-9-13(20-11-14)10-16-4-2/h9,11-12,15-17H,3-8,10H2,1-2H3
InChIKeyLXIVLBNUHBFYGE-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106002321
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
N-(2-bicyclo[2.2.1]heptanyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106067708
2-amino-N-(2-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 62153641
2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076143
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018941
5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030281

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide (CID 106002911) is 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC2CCCCC2CC)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide?
The InChIKey is LXIVLBNUHBFYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-3-12-7-5-6-8-15(12)17-21(18,19)14-9-13(20-11-14)10-16-4-2/h9,11-12,15-17H,3-8,10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106002911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).