4-tert-butylsulfonylhexan-1-amine

C10H23NO2S — CID 21458596

IUPAC4-tert-butylsulfonylhexan-1-amine
SMILESCCC(CCCN)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-5-9(7-6-8-11)14(12,13)10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeySVLDBNKBJKPBIM-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.72
Rot. Bonds5

About 4-tert-butylsulfonylhexan-1-amine

4-tert-butylsulfonylhexan-1-amine (PubChem CID 21458596) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-tert-butylsulfonylhexan-1-amine.

Molecular Properties

Compound Name4-tert-butylsulfonylhexan-1-amine
PubChem CID21458596
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name4-tert-butylsulfonylhexan-1-amine
SMILESCCC(CCCN)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-5-9(7-6-8-11)14(12,13)10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeySVLDBNKBJKPBIM-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonylhexan-1-amine?
The IUPAC name of 4-tert-butylsulfonylhexan-1-amine (CID 21458596) is 4-tert-butylsulfonylhexan-1-amine.
What is the SMILES notation for 4-tert-butylsulfonylhexan-1-amine?
The canonical SMILES for 4-tert-butylsulfonylhexan-1-amine is CCC(CCCN)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-tert-butylsulfonylhexan-1-amine?
The InChIKey is SVLDBNKBJKPBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-9(7-6-8-11)14(12,13)10(2,3)4/h9H,5-8,11H2,1-4H3.
What are the key properties of 4-tert-butylsulfonylhexan-1-amine?
4-tert-butylsulfonylhexan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonylhexan-1-amine is sourced from PubChem (CID 21458596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).