3-methyl-1-[3-methylbutyl(sulfinato)amino]butane

C10H22NO2S- — CID 90735901

IUPAC3-methyl-1-[3-methylbutyl(sulfinato)amino]butane
SMILESCC(C)CCN(CCC(C)C)S(=O)[O-]
InChIInChI=1S/C10H23NO2S/c1-9(2)5-7-11(14(12)13)8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)/p-1
InChIKeyIYDKURDBOJVDHX-UHFFFAOYSA-M
MW220.36 g/mol
LogP2.17
Rot. Bonds7

About 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane

3-methyl-1-[3-methylbutyl(sulfinato)amino]butane (PubChem CID 90735901) has the molecular formula C10H22NO2S- and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane.

Molecular Properties

Compound Name3-methyl-1-[3-methylbutyl(sulfinato)amino]butane
PubChem CID90735901
Molecular FormulaC10H22NO2S-
Molecular Weight220.36 g/mol
Exact Mass220.14
IUPAC Name3-methyl-1-[3-methylbutyl(sulfinato)amino]butane
SMILESCC(C)CCN(CCC(C)C)S(=O)[O-]
InChIInChI=1S/C10H23NO2S/c1-9(2)5-7-11(14(12)13)8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)/p-1
InChIKeyIYDKURDBOJVDHX-UHFFFAOYSA-M
XLogP2.17
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 ≤ 52.17
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-methyl-1-[3-methylbutyl(sulfinato)amino]butane?
The IUPAC name of 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane (CID 90735901) is 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane.
What is the SMILES notation for 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane?
The canonical SMILES for 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane is CC(C)CCN(CCC(C)C)S(=O)[O-].
What is the InChIKey of 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane?
The InChIKey is IYDKURDBOJVDHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)5-7-11(14(12)13)8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)/p-1.
What are the key properties of 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane?
3-methyl-1-[3-methylbutyl(sulfinato)amino]butane has a molecular weight of 220.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-methylbutyl(sulfinato)amino]butane is sourced from PubChem (CID 90735901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).