N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide

C13H20N2O2S2 — CID 107131760

IUPACN-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2CCSC2)cc1
InChIInChI=1S/C13H20N2O2S2/c1-2-15-19(16,17)13-5-3-12(4-6-13)14-9-11-7-8-18-10-11/h3-6,11,14-15H,2,7-10H2,1H3
InChIKeyUAHWSAJSPJQUPP-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.15
Rot. Bonds6

About N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide

N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide (PubChem CID 107131760) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
PubChem CID107131760
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2CCSC2)cc1
InChIInChI=1S/C13H20N2O2S2/c1-2-15-19(16,17)13-5-3-12(4-6-13)14-9-11-7-8-18-10-11/h3-6,11,14-15H,2,7-10H2,1H3
InChIKeyUAHWSAJSPJQUPP-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
4-methylsulfonyl-N-(thian-4-ylmethyl)aniline
CID 113412268
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79360115
6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 107131447
6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295654
N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
CID 82836544
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide (CID 107131760) is N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC2CCSC2)cc1.
What is the InChIKey of N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide?
The InChIKey is UAHWSAJSPJQUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-2-15-19(16,17)13-5-3-12(4-6-13)14-9-11-7-8-18-10-11/h3-6,11,14-15H,2,7-10H2,1H3.
What are the key properties of N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide?
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 107131760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).