2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane

C14H23N3O3S — CID 79912061

IUPAC2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane
SMILESCC1(C)CC(Nc2cccc(NS(N)(=O)=O)c2)C(C)(C)O1
InChIInChI=1S/C14H23N3O3S/c1-13(2)9-12(14(3,4)20-13)16-10-6-5-7-11(8-10)17-21(15,18)19/h5-8,12,16-17H,9H2,1-4H3,(H2,15,18,19)
InChIKeyHZXAYXJTGDIROQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.06
Rot. Bonds4

About 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane

2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane (PubChem CID 79912061) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane
PubChem CID79912061
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane
SMILESCC1(C)CC(Nc2cccc(NS(N)(=O)=O)c2)C(C)(C)O1
InChIInChI=1S/C14H23N3O3S/c1-13(2)9-12(14(3,4)20-13)16-10-6-5-7-11(8-10)17-21(15,18)19/h5-8,12,16-17H,9H2,1-4H3,(H2,15,18,19)
InChIKeyHZXAYXJTGDIROQ-UHFFFAOYSA-N
XLogP2.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine
CID 79927517
2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide
CID 79908582
N-(3-fluorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918656
1-(cyclopentylamino)-3-(sulfamoylamino)benzene
CID 43741971
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
CID 79927779
2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine
CID 79912143
2-[3-(sulfamoylamino)phenyl]-1,3-dioxolane
CID 106913594
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
CID 79911734
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
6-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-4H-1,4-benzoxazin-3-one
CID 79908581
2-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanol
CID 79927130

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane?
The IUPAC name of 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane (CID 79912061) is 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane?
The canonical SMILES for 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane is CC1(C)CC(Nc2cccc(NS(N)(=O)=O)c2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane?
The InChIKey is HZXAYXJTGDIROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-13(2)9-12(14(3,4)20-13)16-10-6-5-7-11(8-10)17-21(15,18)19/h5-8,12,16-17H,9H2,1-4H3,(H2,15,18,19).
What are the key properties of 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane?
2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane has a molecular weight of 313.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane is sourced from PubChem (CID 79912061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).