N-ethyl-3-(methylsulfonimidoyl)propan-1-amine

C6H16N2OS — CID 121358940

IUPACN-ethyl-3-(methylsulfonimidoyl)propan-1-amine
SMILES[H]N=S(C)(=O)CCCNCC
InChIInChI=1S/C6H16N2OS/c1-3-8-5-4-6-10(2,7)9/h7-8H,3-6H2,1-2H3
InChIKeyNOOLHCDJNXUHIY-UHFFFAOYSA-N
MW164.27 g/mol
LogP0.66
Rot. Bonds5

About N-ethyl-3-(methylsulfonimidoyl)propan-1-amine

N-ethyl-3-(methylsulfonimidoyl)propan-1-amine (PubChem CID 121358940) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is N-ethyl-3-(methylsulfonimidoyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(methylsulfonimidoyl)propan-1-amine
PubChem CID121358940
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC NameN-ethyl-3-(methylsulfonimidoyl)propan-1-amine
SMILES[H]N=S(C)(=O)CCCNCC
InChIInChI=1S/C6H16N2OS/c1-3-8-5-4-6-10(2,7)9/h7-8H,3-6H2,1-2H3
InChIKeyNOOLHCDJNXUHIY-UHFFFAOYSA-N
XLogP0.66
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Imino(methyl)(pyrrolidin-3-yl)-lambda6-sulfanone
CID 132081753
1-Imino-1lambda6,4-thiazepan-1-one
CID 132398931
3-fluoro-N-(2-methylsulfinylethyl)propan-1-amine
CID 116145360
N-(2-fluoroethyl)-2-methylsulfinylpropan-1-amine
CID 116179860
N-(3-fluoropropyl)-2-methylsulfinylpropan-1-amine
CID 116180130
N-(3-fluoropropyl)-1-methylsulfinylpropan-2-amine
CID 116198144
N-(2-fluoroethyl)-3-methylsulfinylpropan-1-amine
CID 116204926
3-fluoro-N-(3-methylsulfinylpropyl)propan-1-amine
CID 116205227
N-(2-fluoroethyl)-3-methylsulfinylbutan-1-amine
CID 116226963
N-(3-fluoropropyl)-3-methylsulfinylbutan-1-amine
CID 116227272
N-(2-fluoroethyl)-4-methylsulfinylbutan-2-amine
CID 116249627
N-(2-ethylsulfinylethyl)-3-fluoropropan-1-amine
CID 116258333

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methylsulfonimidoyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(methylsulfonimidoyl)propan-1-amine (CID 121358940) is N-ethyl-3-(methylsulfonimidoyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(methylsulfonimidoyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(methylsulfonimidoyl)propan-1-amine is [H]N=S(C)(=O)CCCNCC.
What is the InChIKey of N-ethyl-3-(methylsulfonimidoyl)propan-1-amine?
The InChIKey is NOOLHCDJNXUHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS/c1-3-8-5-4-6-10(2,7)9/h7-8H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-(methylsulfonimidoyl)propan-1-amine?
N-ethyl-3-(methylsulfonimidoyl)propan-1-amine has a molecular weight of 164.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methylsulfonimidoyl)propan-1-amine is sourced from PubChem (CID 121358940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).