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

C10H15NO4S2 — CID 110370165

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC1OCCCO1)c1cccs1
InChIInChI=1S/C10H15NO4S2/c12-17(13,10-3-1-8-16-10)11-5-4-9-14-6-2-7-15-9/h1,3,8-9,11H,2,4-7H2
InChIKeyTVNAGSZMQGYQGG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds5

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

N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110370165) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110370165
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC1OCCCO1)c1cccs1
InChIInChI=1S/C10H15NO4S2/c12-17(13,10-3-1-8-16-10)11-5-4-9-14-6-2-7-15-9/h1,3,8-9,11H,2,4-7H2
InChIKeyTVNAGSZMQGYQGG-UHFFFAOYSA-N
XLogP1.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 110369851
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345804
2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
CID 79457092
N-[2-(1,3-dioxan-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370149
N-pentylthiophene-2-sulfonamide
CID 5150701
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
CID 83202524

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide (CID 110370165) is N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCC1OCCCO1)c1cccs1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is TVNAGSZMQGYQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c12-17(13,10-3-1-8-16-10)11-5-4-9-14-6-2-7-15-9/h1,3,8-9,11H,2,4-7H2.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 277.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110370165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).