4-methyl-1-propan-2-ylpiperidine;sulfur dioxide

C9H19NO2S — CID 161459747

IUPAC4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
SMILESCC1CCN(C(C)C)CC1.O=S=O
InChIInChI=1S/C9H19N.O2S/c1-8(2)10-6-4-9(3)5-7-10;1-3-2/h8-9H,4-7H2,1-3H3;
InChIKeyWBQGJEMXGGKLCX-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds1

About 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide

4-methyl-1-propan-2-ylpiperidine;sulfur dioxide (PubChem CID 161459747) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
PubChem CID161459747
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
SMILESCC1CCN(C(C)C)CC1.O=S=O
InChIInChI=1S/C9H19N.O2S/c1-8(2)10-6-4-9(3)5-7-10;1-3-2/h8-9H,4-7H2,1-3H3;
InChIKeyWBQGJEMXGGKLCX-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide 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

ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine
CID 169134554
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 163560284
1,4-di(propan-2-yl)piperidine
CID 21303253
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
3-(4-methylpiperidin-1-yl)butan-2-one
CID 43228138
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide?
The IUPAC name of 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide (CID 161459747) is 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide.
What is the SMILES notation for 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide?
The canonical SMILES for 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide is CC1CCN(C(C)C)CC1.O=S=O.
What is the InChIKey of 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide?
The InChIKey is WBQGJEMXGGKLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.O2S/c1-8(2)10-6-4-9(3)5-7-10;1-3-2/h8-9H,4-7H2,1-3H3;.
What are the key properties of 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide?
4-methyl-1-propan-2-ylpiperidine;sulfur dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylpiperidine;sulfur dioxide is sourced from PubChem (CID 161459747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).