3-methyl-1-[methyl(sulfino)amino]butane

C6H15NO2S — CID 57219544

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

About 3-methyl-1-[methyl(sulfino)amino]butane

3-methyl-1-[methyl(sulfino)amino]butane (PubChem CID 57219544) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-methyl-1-[methyl(sulfino)amino]butane.

Molecular Properties

Compound Name3-methyl-1-[methyl(sulfino)amino]butane
PubChem CID57219544
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3-methyl-1-[methyl(sulfino)amino]butane
SMILESCC(C)CCN(C)S(=O)O
InChIInChI=1S/C6H15NO2S/c1-6(2)4-5-7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeySKFZVLJVZRSBNZ-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[Methyl(sulfino)amino]propane
CID 19356943
2-Methyl-1-[methyl(sulfinato)amino]propane
CID 19733479
Butyl(methyl)sulfamic acid
CID 23332141
Methyl(2-methylpropyl)sulfamic acid
CID 23466965
Ethyl(2-methylpropyl)sulfamic acid
CID 23466972
2,3-Dimethyl-1-[methyl(sulfinato)amino]butane
CID 56991107
1-[Ethyl(sulfinato)amino]-3-methylbutane
CID 56999358
1-[Ethyl(sulfinato)amino]-2-methylbutane
CID 57039478
3-Methyl-1-[methyl(sulfinato)amino]butane
CID 57219543
2-Methyl-1-[methyl(sulfinato)amino]butane
CID 57325289
1-[Methyl(sulfino)amino]butane
CID 19356907
2-Methyl-1-[methyl(sulfino)amino]propane
CID 19733480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(sulfino)amino]butane?
The IUPAC name of 3-methyl-1-[methyl(sulfino)amino]butane (CID 57219544) is 3-methyl-1-[methyl(sulfino)amino]butane.
What is the SMILES notation for 3-methyl-1-[methyl(sulfino)amino]butane?
The canonical SMILES for 3-methyl-1-[methyl(sulfino)amino]butane is CC(C)CCN(C)S(=O)O.
What is the InChIKey of 3-methyl-1-[methyl(sulfino)amino]butane?
The InChIKey is SKFZVLJVZRSBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2)4-5-7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 3-methyl-1-[methyl(sulfino)amino]butane?
3-methyl-1-[methyl(sulfino)amino]butane has a molecular weight of 165.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(sulfino)amino]butane is sourced from PubChem (CID 57219544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).