2,2,3-trimethyl-1-(sulfinoamino)butane

C7H17NO2S — CID 89331787

IUPAC2,2,3-trimethyl-1-(sulfinoamino)butane
SMILESCC(C)C(C)(C)CNS(=O)O
InChIInChI=1S/C7H17NO2S/c1-6(2)7(3,4)5-8-11(9)10/h6,8H,5H2,1-4H3,(H,9,10)
InChIKeyJWPKQYFKLNZXPN-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.39
Rot. Bonds4

About 2,2,3-trimethyl-1-(sulfinoamino)butane

2,2,3-trimethyl-1-(sulfinoamino)butane (PubChem CID 89331787) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-(sulfinoamino)butane.

Molecular Properties

Compound Name2,2,3-trimethyl-1-(sulfinoamino)butane
PubChem CID89331787
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2,2,3-trimethyl-1-(sulfinoamino)butane
SMILESCC(C)C(C)(C)CNS(=O)O
InChIInChI=1S/C7H17NO2S/c1-6(2)7(3,4)5-8-11(9)10/h6,8H,5H2,1-4H3,(H,9,10)
InChIKeyJWPKQYFKLNZXPN-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2,2,3-trimethylbutyl)acetamide
CID 115166789
ethane;N,2,2,3-tetramethylbutan-1-amine
CID 142529436
2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-ol
CID 102670964
3,3-dimethyl-4-oxo-4-(2,2,3-trimethylbutylamino)butanoic acid
CID 115164917
2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane
CID 59035178
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane
CID 57206059
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
2-methyl-4-oxo-2-propan-2-yl-4-(2,2,3-trimethylbutylamino)butanoic acid
CID 114099256
ethyl 3-oxo-3-(2,2,3-trimethylbutylamino)propanoate
CID 115138675
methyl 2-(2,2,3-trimethylbutylamino)butanoate
CID 107302680

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-(sulfinoamino)butane?
The IUPAC name of 2,2,3-trimethyl-1-(sulfinoamino)butane (CID 89331787) is 2,2,3-trimethyl-1-(sulfinoamino)butane.
What is the SMILES notation for 2,2,3-trimethyl-1-(sulfinoamino)butane?
The canonical SMILES for 2,2,3-trimethyl-1-(sulfinoamino)butane is CC(C)C(C)(C)CNS(=O)O.
What is the InChIKey of 2,2,3-trimethyl-1-(sulfinoamino)butane?
The InChIKey is JWPKQYFKLNZXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-6(2)7(3,4)5-8-11(9)10/h6,8H,5H2,1-4H3,(H,9,10).
What are the key properties of 2,2,3-trimethyl-1-(sulfinoamino)butane?
2,2,3-trimethyl-1-(sulfinoamino)butane has a molecular weight of 179.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-(sulfinoamino)butane is sourced from PubChem (CID 89331787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).