4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C20H27N3O5S3 — CID 71796504

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C20H27N3O5S3/c24-30(25)14-2-1-8-23(30)18-3-5-19(6-4-18)31(26,27)21-15-20(17-7-13-29-16-17)22-9-11-28-12-10-22/h3-7,13,16,20-21H,1-2,8-12,14-15H2
InChIKeyXXOSCKAYXDZELZ-UHFFFAOYSA-N
MW485.65 g/mol
LogP2.03
Rot. Bonds7

About 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 71796504) has the molecular formula C20H27N3O5S3 and a molecular weight of 485.65 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID71796504
Molecular FormulaC20H27N3O5S3
Molecular Weight485.65 g/mol
Exact Mass485.11
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C20H27N3O5S3/c24-30(25)14-2-1-8-23(30)18-3-5-19(6-4-18)31(26,27)21-15-20(17-7-13-29-16-17)22-9-11-28-12-10-22/h3-7,13,16,20-21H,1-2,8-12,14-15H2
InChIKeyXXOSCKAYXDZELZ-UHFFFAOYSA-N
XLogP2.03
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide
CID 16933141
4-bromo-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933137
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863323
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16933043
4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606937
3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606873

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 71796504) is 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is XXOSCKAYXDZELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S3/c24-30(25)14-2-1-8-23(30)18-3-5-19(6-4-18)31(26,27)21-15-20(17-7-13-29-16-17)22-9-11-28-12-10-22/h3-7,13,16,20-21H,1-2,8-12,14-15H2.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 485.65 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 71796504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).