3,3-dimethyl-1-(sulfinoamino)butane

C6H15NO2S — CID 19598458

IUPAC3,3-dimethyl-1-(sulfinoamino)butane
SMILESCC(C)(C)CCNS(=O)O
InChIInChI=1S/C6H15NO2S/c1-6(2,3)4-5-7-10(8)9/h7H,4-5H2,1-3H3,(H,8,9)
InChIKeyWCRBQPQQETZXBX-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.15
Rot. Bonds3

About 3,3-dimethyl-1-(sulfinoamino)butane

3,3-dimethyl-1-(sulfinoamino)butane (PubChem CID 19598458) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-(sulfinoamino)butane.

Molecular Properties

Compound Name3,3-dimethyl-1-(sulfinoamino)butane
PubChem CID19598458
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3,3-dimethyl-1-(sulfinoamino)butane
SMILESCC(C)(C)CCNS(=O)O
InChIInChI=1S/C6H15NO2S/c1-6(2,3)4-5-7-10(8)9/h7H,4-5H2,1-3H3,(H,8,9)
InChIKeyWCRBQPQQETZXBX-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
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 3,3-dimethyl-1-(sulfinoamino)butane?
The IUPAC name of 3,3-dimethyl-1-(sulfinoamino)butane (CID 19598458) is 3,3-dimethyl-1-(sulfinoamino)butane.
What is the SMILES notation for 3,3-dimethyl-1-(sulfinoamino)butane?
The canonical SMILES for 3,3-dimethyl-1-(sulfinoamino)butane is CC(C)(C)CCNS(=O)O.
What is the InChIKey of 3,3-dimethyl-1-(sulfinoamino)butane?
The InChIKey is WCRBQPQQETZXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2,3)4-5-7-10(8)9/h7H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 3,3-dimethyl-1-(sulfinoamino)butane?
3,3-dimethyl-1-(sulfinoamino)butane has a molecular weight of 165.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(sulfinoamino)butane is sourced from PubChem (CID 19598458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).