N,4-dimethyl-6-propylsulfonylhexan-2-amine

C11H25NO2S — CID 106732347

IUPACN,4-dimethyl-6-propylsulfonylhexan-2-amine
SMILESCCCS(=O)(=O)CCC(C)CC(C)NC
InChIInChI=1S/C11H25NO2S/c1-5-7-15(13,14)8-6-10(2)9-11(3)12-4/h10-12H,5-9H2,1-4H3
InChIKeyVHRPIGVAMSZCNL-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N,4-dimethyl-6-propylsulfonylhexan-2-amine

N,4-dimethyl-6-propylsulfonylhexan-2-amine (PubChem CID 106732347) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N,4-dimethyl-6-propylsulfonylhexan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-propylsulfonylhexan-2-amine
PubChem CID106732347
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN,4-dimethyl-6-propylsulfonylhexan-2-amine
SMILESCCCS(=O)(=O)CCC(C)CC(C)NC
InChIInChI=1S/C11H25NO2S/c1-5-7-15(13,14)8-6-10(2)9-11(3)12-4/h10-12H,5-9H2,1-4H3
InChIKeyVHRPIGVAMSZCNL-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-propylsulfonylhexan-2-amine?
The IUPAC name of N,4-dimethyl-6-propylsulfonylhexan-2-amine (CID 106732347) is N,4-dimethyl-6-propylsulfonylhexan-2-amine.
What is the SMILES notation for N,4-dimethyl-6-propylsulfonylhexan-2-amine?
The canonical SMILES for N,4-dimethyl-6-propylsulfonylhexan-2-amine is CCCS(=O)(=O)CCC(C)CC(C)NC.
What is the InChIKey of N,4-dimethyl-6-propylsulfonylhexan-2-amine?
The InChIKey is VHRPIGVAMSZCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-7-15(13,14)8-6-10(2)9-11(3)12-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N,4-dimethyl-6-propylsulfonylhexan-2-amine?
N,4-dimethyl-6-propylsulfonylhexan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-propylsulfonylhexan-2-amine is sourced from PubChem (CID 106732347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).