N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine

C21H47N3O4S2 — CID 170610918

IUPACN,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CCN(S(=O)(=O)N(C)C)CC1.CC(C)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S.C9H19NO2S.C2H6/c1-9(2)10-5-7-12(8-6-10)15(13,14)11(3)4;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-2/h9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;1-2H3
InChIKeyTUWYFODGTVQRGN-UHFFFAOYSA-N
MW469.76 g/mol
LogP3.50
Rot. Bonds5

About N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine

N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine (PubChem CID 170610918) has the molecular formula C21H47N3O4S2 and a molecular weight of 469.76 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine
PubChem CID170610918
Molecular FormulaC21H47N3O4S2
Molecular Weight469.76 g/mol
Exact Mass469.30
IUPAC NameN,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CCN(S(=O)(=O)N(C)C)CC1.CC(C)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S.C9H19NO2S.C2H6/c1-9(2)10-5-7-12(8-6-10)15(13,14)11(3)4;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-2/h9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;1-2H3
InChIKeyTUWYFODGTVQRGN-UHFFFAOYSA-N
XLogP3.50
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine (CID 170610918) is N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine is CC.CC(C)C1CCN(S(=O)(=O)N(C)C)CC1.CC(C)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine?
The InChIKey is TUWYFODGTVQRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.C9H19NO2S.C2H6/c1-9(2)10-5-7-12(8-6-10)15(13,14)11(3)4;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-2/h9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine?
N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine has a molecular weight of 469.76 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 170610918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).