2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine

C12H25NO3S — CID 65262694

IUPAC2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine
SMILESCC(C)(CN)CCCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H25NO3S/c1-12(2,10-13)6-3-9-17(14,15)11-4-7-16-8-5-11/h11H,3-10,13H2,1-2H3
InChIKeyZGHOTMKTVSMDNH-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.35
Rot. Bonds6

About 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine

2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine (PubChem CID 65262694) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine
PubChem CID65262694
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine
SMILESCC(C)(CN)CCCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H25NO3S/c1-12(2,10-13)6-3-9-17(14,15)11-4-7-16-8-5-11/h11H,3-10,13H2,1-2H3
InChIKeyZGHOTMKTVSMDNH-UHFFFAOYSA-N
XLogP1.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-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-5-(oxan-4-ylsulfonyl)pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine (CID 65262694) is 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine is CC(C)(CN)CCCS(=O)(=O)C1CCOCC1.
What is the InChIKey of 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine?
The InChIKey is ZGHOTMKTVSMDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,10-13)6-3-9-17(14,15)11-4-7-16-8-5-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine?
2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine is sourced from PubChem (CID 65262694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).