3-hexan-3-ylsulfonylpropane-1-sulfonamide

C9H21NO4S2 — CID 154862764

IUPAC3-hexan-3-ylsulfonylpropane-1-sulfonamide
SMILESCCCC(CC)S(=O)(=O)CCCS(N)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-3-6-9(4-2)15(11,12)7-5-8-16(10,13)14/h9H,3-8H2,1-2H3,(H2,10,13,14)
InChIKeyXESHDIPBFZFONN-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.66
Rot. Bonds8

About 3-hexan-3-ylsulfonylpropane-1-sulfonamide

3-hexan-3-ylsulfonylpropane-1-sulfonamide (PubChem CID 154862764) has the molecular formula C9H21NO4S2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-hexan-3-ylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-hexan-3-ylsulfonylpropane-1-sulfonamide
PubChem CID154862764
Molecular FormulaC9H21NO4S2
Molecular Weight271.40 g/mol
Exact Mass271.09
IUPAC Name3-hexan-3-ylsulfonylpropane-1-sulfonamide
SMILESCCCC(CC)S(=O)(=O)CCCS(N)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-3-6-9(4-2)15(11,12)7-5-8-16(10,13)14/h9H,3-8H2,1-2H3,(H2,10,13,14)
InChIKeyXESHDIPBFZFONN-UHFFFAOYSA-N
XLogP0.66
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58132593
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CID 123891803
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CID 19091
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CID 11816201
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CID 12006374
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CID 20401538
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CID 21723558
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Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-ylsulfonylpropane-1-sulfonamide?
The IUPAC name of 3-hexan-3-ylsulfonylpropane-1-sulfonamide (CID 154862764) is 3-hexan-3-ylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 3-hexan-3-ylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 3-hexan-3-ylsulfonylpropane-1-sulfonamide is CCCC(CC)S(=O)(=O)CCCS(N)(=O)=O.
What is the InChIKey of 3-hexan-3-ylsulfonylpropane-1-sulfonamide?
The InChIKey is XESHDIPBFZFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S2/c1-3-6-9(4-2)15(11,12)7-5-8-16(10,13)14/h9H,3-8H2,1-2H3,(H2,10,13,14).
What are the key properties of 3-hexan-3-ylsulfonylpropane-1-sulfonamide?
3-hexan-3-ylsulfonylpropane-1-sulfonamide has a molecular weight of 271.40 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-ylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 154862764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).