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

C12H25NO4S — CID 107389889

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H25NO4S/c1-11(2,3)6-7-18(14,15)13-8-10-9-16-12(4,5)17-10/h10,13H,6-9H2,1-5H3
InChIKeyAEZMXABPSNVEEG-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.49
Rot. Bonds5

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 107389889) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID107389889
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H25NO4S/c1-11(2,3)6-7-18(14,15)13-8-10-9-16-12(4,5)17-10/h10,13H,6-9H2,1-5H3
InChIKeyAEZMXABPSNVEEG-UHFFFAOYSA-N
XLogP1.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.49
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
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-dimethylbutan-1-amine
CID 21027171
N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide
CID 87571308
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]-2-methylbenzenesulfonamide
CID 107389989
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide
CID 3317691
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
CID 3261303
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]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide (CID 107389889) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is AEZMXABPSNVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-11(2,3)6-7-18(14,15)13-8-10-9-16-12(4,5)17-10/h10,13H,6-9H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 279.40 g/mol, XLogP of 1.49, 5 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]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 107389889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).