2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide

C14H24N2O3S2 — CID 106092094

IUPAC2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC(C)C1CCOCC1
InChIInChI=1S/C14H24N2O3S2/c1-3-15-10-13-14(6-9-20-13)21(17,18)16-11(2)12-4-7-19-8-5-12/h6,9,11-12,15-16H,3-5,7-8,10H2,1-2H3
InChIKeyMTZDOIXPPVWKQN-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.95
Rot. Bonds7

About 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106092094) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106092094
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC(C)C1CCOCC1
InChIInChI=1S/C14H24N2O3S2/c1-3-15-10-13-14(6-9-20-13)21(17,18)16-11(2)12-4-7-19-8-5-12/h6,9,11-12,15-16H,3-5,7-8,10H2,1-2H3
InChIKeyMTZDOIXPPVWKQN-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092082
2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050317
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208
2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106072385
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092055

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide (CID 106092094) is 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NC(C)C1CCOCC1.
What is the InChIKey of 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is MTZDOIXPPVWKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-3-15-10-13-14(6-9-20-13)21(17,18)16-11(2)12-4-7-19-8-5-12/h6,9,11-12,15-16H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106092094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).