N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide

C11H17NO4S3 — CID 47304567

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C11H17NO4S3/c1-2-10-3-4-11(17-10)19(15,16)12-7-9-5-6-18(13,14)8-9/h3-4,9,12H,2,5-8H2,1H3
InChIKeyJBBZHYRYMFELDK-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.02
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide

N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 47304567) has the molecular formula C11H17NO4S3 and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
PubChem CID47304567
Molecular FormulaC11H17NO4S3
Molecular Weight323.46 g/mol
Exact Mass323.03
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C11H17NO4S3/c1-2-10-3-4-11(17-10)19(15,16)12-7-9-5-6-18(13,14)8-9/h3-4,9,12H,2,5-8H2,1H3
InChIKeyJBBZHYRYMFELDK-UHFFFAOYSA-N
XLogP1.02
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 106135842
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95144968
5-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 16888212
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818
5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 90619991
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
CID 65031848

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide (CID 47304567) is N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC2CCS(=O)(=O)C2)s1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is JBBZHYRYMFELDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S3/c1-2-10-3-4-11(17-10)19(15,16)12-7-9-5-6-18(13,14)8-9/h3-4,9,12H,2,5-8H2,1H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 323.46 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 47304567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).