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

C12H24N2O4S — CID 107389899

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)N2CCCCCC2)O1
InChIInChI=1S/C12H24N2O4S/c1-12(2)17-10-11(18-12)9-13-19(15,16)14-7-5-3-4-6-8-14/h11,13H,3-10H2,1-2H3
InChIKeyLHLBBYFAQDCDJR-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.85
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide (PubChem CID 107389899) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide
PubChem CID107389899
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)N2CCCCCC2)O1
InChIInChI=1S/C12H24N2O4S/c1-12(2)17-10-11(18-12)9-13-19(15,16)14-7-5-3-4-6-8-14/h11,13H,3-10H2,1-2H3
InChIKeyLHLBBYFAQDCDJR-UHFFFAOYSA-N
XLogP0.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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]-2-methoxyethanesulfonamide
CID 107389947
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 107389889
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]methanesulfonamide
CID 8698584
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 113267686
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989
N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide
CID 114083940
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide (CID 107389899) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide is CC1(C)OCC(CNS(=O)(=O)N2CCCCCC2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide?
The InChIKey is LHLBBYFAQDCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2)17-10-11(18-12)9-13-19(15,16)14-7-5-3-4-6-8-14/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide is sourced from PubChem (CID 107389899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).