N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C19H30N2O5S2 — CID 129375071

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C19H30N2O5S2/c1-16-4-5-19(17(2)14-16)28(24,25)21(18-6-13-27(22,23)15-18)8-3-7-20-9-11-26-12-10-20/h4-5,14,18H,3,6-13,15H2,1-2H3/t18-/m1/s1
InChIKeyDCRMYZYOOYFBKC-GOSISDBHSA-N
MW430.59 g/mol
LogP1.20
Rot. Bonds7

About N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 129375071) has the molecular formula C19H30N2O5S2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID129375071
Molecular FormulaC19H30N2O5S2
Molecular Weight430.59 g/mol
Exact Mass430.16
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C19H30N2O5S2/c1-16-4-5-19(17(2)14-16)28(24,25)21(18-6-13-27(22,23)15-18)8-3-7-20-9-11-26-12-10-20/h4-5,14,18H,3,6-13,15H2,1-2H3/t18-/m1/s1
InChIKeyDCRMYZYOOYFBKC-GOSISDBHSA-N
XLogP1.20
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55689495
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55537846
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 129375077
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129370557
N-(1,1-dioxothiolan-3-yl)-2,3,4,5,6-pentamethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55383917
N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)-2-nitrobenzenesulfonamide
CID 55384160
methyl 4-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55434726
methyl 3-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55516389
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55598179
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,4-trimethylbenzenesulfonamide
CID 129370634
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
CID 146094195
3-[[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]-methylamino]propanenitrile
CID 55598260

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 129375071) is N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is DCRMYZYOOYFBKC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N2O5S2/c1-16-4-5-19(17(2)14-16)28(24,25)21(18-6-13-27(22,23)15-18)8-3-7-20-9-11-26-12-10-20/h4-5,14,18H,3,6-13,15H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 430.59 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 129375071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).