3-[methyl(sulfino)amino]pentane

C6H15NO2S — CID 57277653

IUPAC3-[methyl(sulfino)amino]pentane
SMILESCCC(CC)N(C)S(=O)O
InChIInChI=1S/C6H15NO2S/c1-4-6(5-2)7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyGZMOWSKDNJPSPE-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.24
Rot. Bonds4

About 3-[methyl(sulfino)amino]pentane

3-[methyl(sulfino)amino]pentane (PubChem CID 57277653) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-[methyl(sulfino)amino]pentane.

Molecular Properties

Compound Name3-[methyl(sulfino)amino]pentane
PubChem CID57277653
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3-[methyl(sulfino)amino]pentane
SMILESCCC(CC)N(C)S(=O)O
InChIInChI=1S/C6H15NO2S/c1-4-6(5-2)7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyGZMOWSKDNJPSPE-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[methyl(sulfino)amino]pentane?
The IUPAC name of 3-[methyl(sulfino)amino]pentane (CID 57277653) is 3-[methyl(sulfino)amino]pentane.
What is the SMILES notation for 3-[methyl(sulfino)amino]pentane?
The canonical SMILES for 3-[methyl(sulfino)amino]pentane is CCC(CC)N(C)S(=O)O.
What is the InChIKey of 3-[methyl(sulfino)amino]pentane?
The InChIKey is GZMOWSKDNJPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-6(5-2)7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 3-[methyl(sulfino)amino]pentane?
3-[methyl(sulfino)amino]pentane has a molecular weight of 165.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(sulfino)amino]pentane is sourced from PubChem (CID 57277653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).