3-[pentan-3-yl(sulfinato)amino]pentane

C10H22NO2S- — CID 90702222

IUPAC3-[pentan-3-yl(sulfinato)amino]pentane
SMILESCCC(CC)N(C(CC)CC)S(=O)[O-]
InChIInChI=1S/C10H23NO2S/c1-5-9(6-2)11(14(12)13)10(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,12,13)/p-1
InChIKeySFRAURIITKVSJZ-UHFFFAOYSA-M
MW220.36 g/mol
LogP2.46
Rot. Bonds7

About 3-[pentan-3-yl(sulfinato)amino]pentane

3-[pentan-3-yl(sulfinato)amino]pentane (PubChem CID 90702222) has the molecular formula C10H22NO2S- and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-[pentan-3-yl(sulfinato)amino]pentane.

Molecular Properties

Compound Name3-[pentan-3-yl(sulfinato)amino]pentane
PubChem CID90702222
Molecular FormulaC10H22NO2S-
Molecular Weight220.36 g/mol
Exact Mass220.14
IUPAC Name3-[pentan-3-yl(sulfinato)amino]pentane
SMILESCCC(CC)N(C(CC)CC)S(=O)[O-]
InChIInChI=1S/C10H23NO2S/c1-5-9(6-2)11(14(12)13)10(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,12,13)/p-1
InChIKeySFRAURIITKVSJZ-UHFFFAOYSA-M
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[pentan-3-yl(sulfinato)amino]pentane?
The IUPAC name of 3-[pentan-3-yl(sulfinato)amino]pentane (CID 90702222) is 3-[pentan-3-yl(sulfinato)amino]pentane.
What is the SMILES notation for 3-[pentan-3-yl(sulfinato)amino]pentane?
The canonical SMILES for 3-[pentan-3-yl(sulfinato)amino]pentane is CCC(CC)N(C(CC)CC)S(=O)[O-].
What is the InChIKey of 3-[pentan-3-yl(sulfinato)amino]pentane?
The InChIKey is SFRAURIITKVSJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO2S/c1-5-9(6-2)11(14(12)13)10(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,12,13)/p-1.
What are the key properties of 3-[pentan-3-yl(sulfinato)amino]pentane?
3-[pentan-3-yl(sulfinato)amino]pentane has a molecular weight of 220.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[pentan-3-yl(sulfinato)amino]pentane is sourced from PubChem (CID 90702222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).