1-[ethyl(sulfinato)amino]-3-methylbutane

C7H16NO2S- — CID 56999358

IUPAC1-[ethyl(sulfinato)amino]-3-methylbutane
SMILESCCN(CCC(C)C)S(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-4-8(11(9)10)6-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyKFUGBOLKSUCBRK-UHFFFAOYSA-M
MW178.28 g/mol
LogP1.15
Rot. Bonds5

About 1-[ethyl(sulfinato)amino]-3-methylbutane

1-[ethyl(sulfinato)amino]-3-methylbutane (PubChem CID 56999358) has the molecular formula C7H16NO2S- and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[ethyl(sulfinato)amino]-3-methylbutane.

Molecular Properties

Compound Name1-[ethyl(sulfinato)amino]-3-methylbutane
PubChem CID56999358
Molecular FormulaC7H16NO2S-
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name1-[ethyl(sulfinato)amino]-3-methylbutane
SMILESCCN(CCC(C)C)S(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-4-8(11(9)10)6-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyKFUGBOLKSUCBRK-UHFFFAOYSA-M
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.15
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 1-[ethyl(sulfinato)amino]-3-methylbutane?
The IUPAC name of 1-[ethyl(sulfinato)amino]-3-methylbutane (CID 56999358) is 1-[ethyl(sulfinato)amino]-3-methylbutane.
What is the SMILES notation for 1-[ethyl(sulfinato)amino]-3-methylbutane?
The canonical SMILES for 1-[ethyl(sulfinato)amino]-3-methylbutane is CCN(CCC(C)C)S(=O)[O-].
What is the InChIKey of 1-[ethyl(sulfinato)amino]-3-methylbutane?
The InChIKey is KFUGBOLKSUCBRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NO2S/c1-4-8(11(9)10)6-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)/p-1.
What are the key properties of 1-[ethyl(sulfinato)amino]-3-methylbutane?
1-[ethyl(sulfinato)amino]-3-methylbutane has a molecular weight of 178.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfinato)amino]-3-methylbutane is sourced from PubChem (CID 56999358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).