N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide

C11H17NO4S2 — CID 110369851

IUPACN-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCC1(CCNS(=O)(=O)c2cccs2)OCCCO1
InChIInChI=1S/C11H17NO4S2/c1-11(15-7-3-8-16-11)5-6-12-18(13,14)10-4-2-9-17-10/h2,4,9,12H,3,5-8H2,1H3
InChIKeyLJXYXRKRCRISFJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110369851) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110369851
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC NameN-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCC1(CCNS(=O)(=O)c2cccs2)OCCCO1
InChIInChI=1S/C11H17NO4S2/c1-11(15-7-3-8-16-11)5-6-12-18(13,14)10-4-2-9-17-10/h2,4,9,12H,3,5-8H2,1H3
InChIKeyLJXYXRKRCRISFJ-UHFFFAOYSA-N
XLogP1.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide
CID 110369880
N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 110370165
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-pentylthiophene-2-sulfonamide
CID 5150701
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-(1-methylcyclopropyl)thiophene-2-sulfonamide
CID 130660498
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-dodecylthiophene-2-sulfonamide
CID 19681497
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide
CID 115365134
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide (CID 110369851) is N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide is CC1(CCNS(=O)(=O)c2cccs2)OCCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is LJXYXRKRCRISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-11(15-7-3-8-16-11)5-6-12-18(13,14)10-4-2-9-17-10/h2,4,9,12H,3,5-8H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 291.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110369851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).