1-[propan-2-yl(sulfinato)amino]propane

C6H14NO2S- — CID 57015275

IUPAC1-[propan-2-yl(sulfinato)amino]propane
SMILESCCCN(C(C)C)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-4-5-7(6(2)3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1
InChIKeyAFUJBVKFEGYUMJ-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.90
Rot. Bonds4

About 1-[propan-2-yl(sulfinato)amino]propane

1-[propan-2-yl(sulfinato)amino]propane (PubChem CID 57015275) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-[propan-2-yl(sulfinato)amino]propane.

Molecular Properties

Compound Name1-[propan-2-yl(sulfinato)amino]propane
PubChem CID57015275
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name1-[propan-2-yl(sulfinato)amino]propane
SMILESCCCN(C(C)C)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-4-5-7(6(2)3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1
InChIKeyAFUJBVKFEGYUMJ-UHFFFAOYSA-M
XLogP0.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropylsulfamoyl chloride
CID 16228222
N-Methyl-N-(1-methylethyl)sulfamoyl chloride
CID 16794766
N-cyclopropyl-N-ethylsulfamoyl chloride
CID 43264097
N-ethyl-N-(propan-2-yl)sulfamoyl chloride
CID 43265685
N-ethyl-N-propylsulfamoyl chloride
CID 43268661
N-(butan-2-yl)-N-methylsulfamoyl chloride
CID 43272832
Dipropyl sulfonamide
CID 21161749
Diisopropylsulfamoyl chloride
CID 12798264
[Di(propan-2-yl)amino]-oxosulfanium
CID 16694682
1-[Propyl(sulfino)amino]propane
CID 17894619
1-[Propyl(sulfinato)amino]butane
CID 17989660
2-[Methoxysulfinyl(methyl)amino]propane
CID 18727325

Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl(sulfinato)amino]propane?
The IUPAC name of 1-[propan-2-yl(sulfinato)amino]propane (CID 57015275) is 1-[propan-2-yl(sulfinato)amino]propane.
What is the SMILES notation for 1-[propan-2-yl(sulfinato)amino]propane?
The canonical SMILES for 1-[propan-2-yl(sulfinato)amino]propane is CCCN(C(C)C)S(=O)[O-].
What is the InChIKey of 1-[propan-2-yl(sulfinato)amino]propane?
The InChIKey is AFUJBVKFEGYUMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-4-5-7(6(2)3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 1-[propan-2-yl(sulfinato)amino]propane?
1-[propan-2-yl(sulfinato)amino]propane has a molecular weight of 164.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl(sulfinato)amino]propane is sourced from PubChem (CID 57015275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).