N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine

C10H23NO2S — CID 158256808

IUPACN-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine
SMILESC=S(=O)(O)CCCN(C)CC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-10(2,3)9-11(4)7-6-8-14(5,12)13/h5-9H2,1-4H3,(H,12,13)
InChIKeyOZJXWFPSMDRFPG-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.54
Rot. Bonds5

About N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine

N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine (PubChem CID 158256808) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine
PubChem CID158256808
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine
SMILESC=S(=O)(O)CCCN(C)CC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-10(2,3)9-11(4)7-6-8-14(5,12)13/h5-9H2,1-4H3,(H,12,13)
InChIKeyOZJXWFPSMDRFPG-UHFFFAOYSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine (CID 158256808) is N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine is C=S(=O)(O)CCCN(C)CC(C)(C)C.
What is the InChIKey of N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine?
The InChIKey is OZJXWFPSMDRFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(2,3)9-11(4)7-6-8-14(5,12)13/h5-9H2,1-4H3,(H,12,13).
What are the key properties of N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine?
N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 158256808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).