5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide

C12H20N2O2S3 — CID 106089167

IUPAC5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2CCSC2)cs1
InChIInChI=1S/C12H20N2O2S3/c1-2-13-7-11-5-12(9-18-11)19(15,16)14-6-10-3-4-17-8-10/h5,9-10,13-14H,2-4,6-8H2,1H3
InChIKeyUMQTYRHOPGBNSX-UHFFFAOYSA-N
MW320.51 g/mol
LogP1.89
Rot. Bonds7

About 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide

5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106089167) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
PubChem CID106089167
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC Name5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2CCSC2)cs1
InChIInChI=1S/C12H20N2O2S3/c1-2-13-7-11-5-12(9-18-11)19(15,16)14-6-10-3-4-17-8-10/h5,9-10,13-14H,2-4,6-8H2,1H3
InChIKeyUMQTYRHOPGBNSX-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-(1,4-dithian-2-ylmethyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078382
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106089898
5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide
CID 106002911
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089237

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide (CID 106089167) is 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC2CCSC2)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is UMQTYRHOPGBNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-2-13-7-11-5-12(9-18-11)19(15,16)14-6-10-3-4-17-8-10/h5,9-10,13-14H,2-4,6-8H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 320.51 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106089167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).