2-methyl-1-(sulfinatoamino)pentane

C6H14NO2S- — CID 57093103

IUPAC2-methyl-1-(sulfinatoamino)pentane
SMILESCCCC(C)CNS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-4-6(2)5-7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyMGJVDIALCVAUKZ-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.81
Rot. Bonds5

About 2-methyl-1-(sulfinatoamino)pentane

2-methyl-1-(sulfinatoamino)pentane (PubChem CID 57093103) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-1-(sulfinatoamino)pentane.

Molecular Properties

Compound Name2-methyl-1-(sulfinatoamino)pentane
PubChem CID57093103
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name2-methyl-1-(sulfinatoamino)pentane
SMILESCCCC(C)CNS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-4-6(2)5-7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyMGJVDIALCVAUKZ-UHFFFAOYSA-M
XLogP0.81
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(sulfinatoamino)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Sulfinatoamino)pentane
CID 19067790
6-Methyl-1-(sulfinatoamino)heptane
CID 22376959
4-Methyl-1-(sulfinatoamino)pentane
CID 23083346
2-Methyl-3-(sulfinatoamino)pentane
CID 56986411
3-Methyl-1-(sulfinatoamino)butane
CID 57048746
3-[(Sulfinatoamino)methyl]heptane
CID 57135935
3-Methyl-1-(sulfinatoamino)pentane
CID 57164532
2-Methyl-4-(sulfinatoamino)pentane
CID 57191281
2,3-Dimethyl-1-(sulfinatoamino)butane
CID 57203135
3-[(Sulfinatoamino)methyl]pentane
CID 57224728
2-Methyl-1-(sulfinatoamino)butane
CID 57325381
2,4,4-Trimethyl-1-(sulfinatoamino)pentane
CID 57421733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(sulfinatoamino)pentane?
The IUPAC name of 2-methyl-1-(sulfinatoamino)pentane (CID 57093103) is 2-methyl-1-(sulfinatoamino)pentane.
What is the SMILES notation for 2-methyl-1-(sulfinatoamino)pentane?
The canonical SMILES for 2-methyl-1-(sulfinatoamino)pentane is CCCC(C)CNS(=O)[O-].
What is the InChIKey of 2-methyl-1-(sulfinatoamino)pentane?
The InChIKey is MGJVDIALCVAUKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-3-4-6(2)5-7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 2-methyl-1-(sulfinatoamino)pentane?
2-methyl-1-(sulfinatoamino)pentane has a molecular weight of 164.25 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(sulfinatoamino)pentane is sourced from PubChem (CID 57093103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).