N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide

C9H19NO5S — CID 107389947

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C9H19NO5S/c1-9(2)14-7-8(15-9)6-10-16(11,12)5-4-13-3/h8,10H,4-7H2,1-3H3
InChIKeyVINPMHYNUGYUKQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.30
Rot. Bonds6

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide (PubChem CID 107389947) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide
PubChem CID107389947
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C9H19NO5S/c1-9(2)14-7-8(15-9)6-10-16(11,12)5-4-13-3/h8,10H,4-7H2,1-3H3
InChIKeyVINPMHYNUGYUKQ-UHFFFAOYSA-N
XLogP-0.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 107389863
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide
CID 19426282
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 107389889
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide
CID 107389899
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide
CID 87571308
propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate
CID 107389934
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
CID 3261303
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide
CID 3836231
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide (CID 107389947) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is VINPMHYNUGYUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-9(2)14-7-8(15-9)6-10-16(11,12)5-4-13-3/h8,10H,4-7H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 253.32 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 107389947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).