6-ethylsulfonyl-2-methylsulfonylhexan-3-amine

C9H21NO4S2 — CID 115865472

IUPAC6-ethylsulfonyl-2-methylsulfonylhexan-3-amine
SMILESCCS(=O)(=O)CCCC(N)C(C)S(C)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-4-16(13,14)7-5-6-9(10)8(2)15(3,11)12/h8-9H,4-7,10H2,1-3H3
InChIKeyCHXGSZOJEKXXJP-UHFFFAOYSA-N
MW271.40 g/mol
LogP-0.04
Rot. Bonds7

About 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine

6-ethylsulfonyl-2-methylsulfonylhexan-3-amine (PubChem CID 115865472) has the molecular formula C9H21NO4S2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-2-methylsulfonylhexan-3-amine
PubChem CID115865472
Molecular FormulaC9H21NO4S2
Molecular Weight271.40 g/mol
Exact Mass271.09
IUPAC Name6-ethylsulfonyl-2-methylsulfonylhexan-3-amine
SMILESCCS(=O)(=O)CCCC(N)C(C)S(C)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-4-16(13,14)7-5-6-9(10)8(2)15(3,11)12/h8-9H,4-7,10H2,1-3H3
InChIKeyCHXGSZOJEKXXJP-UHFFFAOYSA-N
XLogP-0.04
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethylsulfonyl-2-methylsulfonylhexan-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 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine?
The IUPAC name of 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine (CID 115865472) is 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine.
What is the SMILES notation for 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine?
The canonical SMILES for 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine is CCS(=O)(=O)CCCC(N)C(C)S(C)(=O)=O.
What is the InChIKey of 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine?
The InChIKey is CHXGSZOJEKXXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S2/c1-4-16(13,14)7-5-6-9(10)8(2)15(3,11)12/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine?
6-ethylsulfonyl-2-methylsulfonylhexan-3-amine has a molecular weight of 271.40 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2-methylsulfonylhexan-3-amine is sourced from PubChem (CID 115865472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).