3-[ethyl(sulfino)amino]-3-methylpentane

C8H19NO2S — CID 22179182

IUPAC3-[ethyl(sulfino)amino]-3-methylpentane
SMILESCCN(S(=O)O)C(C)(CC)CC
InChIInChI=1S/C8H19NO2S/c1-5-8(4,6-2)9(7-3)12(10)11/h5-7H2,1-4H3,(H,10,11)
InChIKeyXMOPCTXQWJZDKG-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.02
Rot. Bonds5

About 3-[ethyl(sulfino)amino]-3-methylpentane

3-[ethyl(sulfino)amino]-3-methylpentane (PubChem CID 22179182) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-[ethyl(sulfino)amino]-3-methylpentane.

Molecular Properties

Compound Name3-[ethyl(sulfino)amino]-3-methylpentane
PubChem CID22179182
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-[ethyl(sulfino)amino]-3-methylpentane
SMILESCCN(S(=O)O)C(C)(CC)CC
InChIInChI=1S/C8H19NO2S/c1-5-8(4,6-2)9(7-3)12(10)11/h5-7H2,1-4H3,(H,10,11)
InChIKeyXMOPCTXQWJZDKG-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
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-[ethyl(sulfino)amino]-3-methylpentane?
The IUPAC name of 3-[ethyl(sulfino)amino]-3-methylpentane (CID 22179182) is 3-[ethyl(sulfino)amino]-3-methylpentane.
What is the SMILES notation for 3-[ethyl(sulfino)amino]-3-methylpentane?
The canonical SMILES for 3-[ethyl(sulfino)amino]-3-methylpentane is CCN(S(=O)O)C(C)(CC)CC.
What is the InChIKey of 3-[ethyl(sulfino)amino]-3-methylpentane?
The InChIKey is XMOPCTXQWJZDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-8(4,6-2)9(7-3)12(10)11/h5-7H2,1-4H3,(H,10,11).
What are the key properties of 3-[ethyl(sulfino)amino]-3-methylpentane?
3-[ethyl(sulfino)amino]-3-methylpentane has a molecular weight of 193.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(sulfino)amino]-3-methylpentane is sourced from PubChem (CID 22179182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).