3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium

C9H18NO2SU- — CID 170937685

IUPAC3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium
SMILESCC(C)C(CS(C)(=O)=O)C1C[N-]C1.[U]
InChIInChI=1S/C9H18NO2S.U/c1-7(2)9(6-13(3,11)12)8-4-10-5-8;/h7-9H,4-6H2,1-3H3;/q-1;
InChIKeyZSDUKOIZBGXZAB-UHFFFAOYSA-N
MW442.34 g/mol
LogP1.31
Rot. Bonds4

About 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium

3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium (PubChem CID 170937685) has the molecular formula C9H18NO2SU- and a molecular weight of 442.34 g/mol. Its IUPAC name is 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium.

Molecular Properties

Compound Name3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium
PubChem CID170937685
Molecular FormulaC9H18NO2SU-
Molecular Weight442.34 g/mol
Exact Mass442.16
IUPAC Name3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium
SMILESCC(C)C(CS(C)(=O)=O)C1C[N-]C1.[U]
InChIInChI=1S/C9H18NO2S.U/c1-7(2)9(6-13(3,11)12)8-4-10-5-8;/h7-9H,4-6H2,1-3H3;/q-1;
InChIKeyZSDUKOIZBGXZAB-UHFFFAOYSA-N
XLogP1.31
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethylsulfonyl-3-propylazetidine
CID 20620278
2-ethyl-N,N-dimethyl-3-(methylsulfonylmethyl)pentan-1-amine
CID 89634386
7-Tert-butyl-2-methyl-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 117671797
1-Ethylsulfonyl-3-(2-methylpropyl)azetidine
CID 166560576
3-(2-Methylpentan-3-yl)-1-propylsulfonylazetidine
CID 167076236
3-Butan-2-yl-1-ethylsulfonylazetidine
CID 167076521
3-(2-Methylpropyl)-1-propan-2-ylsulfonylazetidine
CID 167076661
1-Cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine
CID 167076662
1-Ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine
CID 167076686
3-Methylsulfonyl-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine
CID 167184639
4-(1-Methylazetidin-3-yl)thiane 1,1-dioxide
CID 167303076
4-(1-Propan-2-ylazetidin-3-yl)thiane 1,1-dioxide
CID 167303154

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium?
The IUPAC name of 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium (CID 170937685) is 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium.
What is the SMILES notation for 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium?
The canonical SMILES for 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium is CC(C)C(CS(C)(=O)=O)C1C[N-]C1.[U].
What is the InChIKey of 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium?
The InChIKey is ZSDUKOIZBGXZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2S.U/c1-7(2)9(6-13(3,11)12)8-4-10-5-8;/h7-9H,4-6H2,1-3H3;/q-1;.
What are the key properties of 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium?
3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium has a molecular weight of 442.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-methylsulfonylbutan-2-yl)-azanidacyclobutane;uranium is sourced from PubChem (CID 170937685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).