3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane

C8H22N2OS — CID 145388867

IUPAC3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane
SMILESCC.CNCCCN=S(C)(C)=O
InChIInChI=1S/C6H16N2OS.C2H6/c1-7-5-4-6-8-10(2,3)9;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeySIPOZCHNTGXFGT-UHFFFAOYSA-N
MW194.34 g/mol
LogP1.35
Rot. Bonds4

About 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane

3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane (PubChem CID 145388867) has the molecular formula C8H22N2OS and a molecular weight of 194.34 g/mol. Its IUPAC name is 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane.

Molecular Properties

Compound Name3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane
PubChem CID145388867
Molecular FormulaC8H22N2OS
Molecular Weight194.34 g/mol
Exact Mass194.15
IUPAC Name3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane
SMILESCC.CNCCCN=S(C)(C)=O
InChIInChI=1S/C6H16N2OS.C2H6/c1-7-5-4-6-8-10(2,3)9;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeySIPOZCHNTGXFGT-UHFFFAOYSA-N
XLogP1.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]ethanesulfinamide
CID 126639040
N-[3-(methylamino)propyl]methanesulfinamide
CID 126639205
3-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-methylpropan-1-amine
CID 131126138
N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine
CID 134297674
N-[3-(dimethylamino)propyl]methanesulfinamide;ethane
CID 145388779
ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine
CID 145388817
N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane
CID 145388824
methane;N-[3-(methylamino)propyl]methanesulfonamide
CID 157130304
N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide
CID 61013786
N-ethyl-N-[3-(propylamino)propyl]methanesulfonamide
CID 61013903
N-methyl-N-[3-(methylamino)propyl]methanesulfonamide
CID 79007051
N-[3-(3-aminopropylamino)propyl]-N-ethylmethanesulfonamide
CID 81737302

Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane?
The IUPAC name of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane (CID 145388867) is 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane.
What is the SMILES notation for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane?
The canonical SMILES for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane is CC.CNCCCN=S(C)(C)=O.
What is the InChIKey of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane?
The InChIKey is SIPOZCHNTGXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS.C2H6/c1-7-5-4-6-8-10(2,3)9;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane?
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane has a molecular weight of 194.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane is sourced from PubChem (CID 145388867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).