N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide

C11H15NO4S3 — CID 47317810

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H15NO4S3/c13-18(14)7-5-10(8-18)12(9-3-4-9)19(15,16)11-2-1-6-17-11/h1-2,6,9-10H,3-5,7-8H2
InChIKeyMOXBPTQNCIJZQT-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.09
Rot. Bonds4

About N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide (PubChem CID 47317810) has the molecular formula C11H15NO4S3 and a molecular weight of 321.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
PubChem CID47317810
Molecular FormulaC11H15NO4S3
Molecular Weight321.45 g/mol
Exact Mass321.02
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H15NO4S3/c13-18(14)7-5-10(8-18)12(9-3-4-9)19(15,16)11-2-1-6-17-11/h1-2,6,9-10H,3-5,7-8H2
InChIKeyMOXBPTQNCIJZQT-UHFFFAOYSA-N
XLogP1.09
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dicyclohexylthiophene-2-sulfonamide
CID 19682432
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 51284591
4-bromo-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52541834
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30789083
2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 55873872
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55578239
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 75905616
4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide
CID 51284609
3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 51284603
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 56684512

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide (CID 47317810) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide is O=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is MOXBPTQNCIJZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S3/c13-18(14)7-5-10(8-18)12(9-3-4-9)19(15,16)11-2-1-6-17-11/h1-2,6,9-10H,3-5,7-8H2.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 47317810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).