2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide

C14H24N2O3S2 — CID 102753338

IUPAC2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NC1CCCC1OC
InChIInChI=1S/C14H24N2O3S2/c1-4-15-8-13-14(10(2)9-20-13)21(17,18)16-11-6-5-7-12(11)19-3/h9,11-12,15-16H,4-8H2,1-3H3
InChIKeyWAZKFGLEEPVGFO-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.01
Rot. Bonds7

About 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide

2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102753338) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
PubChem CID102753338
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NC1CCCC1OC
InChIInChI=1S/C14H24N2O3S2/c1-4-15-8-13-14(10(2)9-20-13)21(17,18)16-11-6-5-7-12(11)19-3/h9,11-12,15-16H,4-8H2,1-3H3
InChIKeyWAZKFGLEEPVGFO-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064612
N-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091837
N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106091838
5-(ethylaminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 65778115
N-ethyl-5-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 65778710
N-ethyl-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 65778897
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 65779469
5-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 65780227
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 65780261
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 65780454
N-methyl-N-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 65780457
N-methyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 65780831

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide (CID 102753338) is 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NC1CCCC1OC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is WAZKFGLEEPVGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-4-15-8-13-14(10(2)9-20-13)21(17,18)16-11-6-5-7-12(11)19-3/h9,11-12,15-16H,4-8H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102753338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).