2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine

C10H22N2O2S — CID 115275208

IUPAC2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine
SMILESCC(C)CS(=O)(=O)N1CCC(N)C1(C)C
InChIInChI=1S/C10H22N2O2S/c1-8(2)7-15(13,14)12-6-5-9(11)10(12,3)4/h8-9H,5-7,11H2,1-4H3
InChIKeyRUNLPSYANIEQDH-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.78
Rot. Bonds3

About 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine

2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine (PubChem CID 115275208) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine
PubChem CID115275208
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine
SMILESCC(C)CS(=O)(=O)N1CCC(N)C1(C)C
InChIInChI=1S/C10H22N2O2S/c1-8(2)7-15(13,14)12-6-5-9(11)10(12,3)4/h8-9H,5-7,11H2,1-4H3
InChIKeyRUNLPSYANIEQDH-UHFFFAOYSA-N
XLogP0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine 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 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine (CID 115275208) is 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine is CC(C)CS(=O)(=O)N1CCC(N)C1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine?
The InChIKey is RUNLPSYANIEQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)7-15(13,14)12-6-5-9(11)10(12,3)4/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine?
2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine has a molecular weight of 234.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 115275208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).