N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide

C8H18N2O2S — CID 59706217

IUPACN,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide
SMILESCC(C)N1CC(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)10-5-8(6-10)13(11,12)9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCQVOFDZUMFGECE-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.03
Rot. Bonds3

About N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide

N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide (PubChem CID 59706217) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide
PubChem CID59706217
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide
SMILESCC(C)N1CC(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)10-5-8(6-10)13(11,12)9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCQVOFDZUMFGECE-UHFFFAOYSA-N
XLogP-0.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide 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-1-propan-2-ylazetidine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide (CID 59706217) is N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide is CC(C)N1CC(S(=O)(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide?
The InChIKey is CQVOFDZUMFGECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)10-5-8(6-10)13(11,12)9(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide?
N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-ylazetidine-3-sulfonamide is sourced from PubChem (CID 59706217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).