2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen

C7H20N2OS — CID 145388877

IUPAC2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen
SMILESCCN(C)CCN=S(C)(C)=O.[H][H]
InChIInChI=1S/C7H18N2OS.H2/c1-5-9(2)7-6-8-11(3,4)10;/h5-7H2,1-4H3;1H
InChIKeyJSBUGKCIWYNCHN-UHFFFAOYSA-N
MW180.32 g/mol
LogP0.91
Rot. Bonds4

About 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen

2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen (PubChem CID 145388877) has the molecular formula C7H20N2OS and a molecular weight of 180.32 g/mol. Its IUPAC name is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen
PubChem CID145388877
Molecular FormulaC7H20N2OS
Molecular Weight180.32 g/mol
Exact Mass180.13
IUPAC Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen
SMILESCCN(C)CCN=S(C)(C)=O.[H][H]
InChIInChI=1S/C7H18N2OS.H2/c1-5-9(2)7-6-8-11(3,4)10;/h5-7H2,1-4H3;1H
InChIKeyJSBUGKCIWYNCHN-UHFFFAOYSA-N
XLogP0.91
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
CID 164964311
N-ethyl-N-methylethanamine;methanesulfonic acid
CID 121235737
N-ethyl-N-methyl-3-methylsulfonylbutan-1-amine
CID 142482776
N-ethyl-2-isothiocyanato-N-methylethanamine
CID 62640150
4-[ethyl(methyl)amino]butane-1-sulfonic acid
CID 54170447
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 143432854
1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110916967
N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide
CID 63173155
ethene;N-ethyl-N-methylpropan-1-amine
CID 153352940
3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid
CID 62641953
ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide
CID 171638320

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen?
The IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen (CID 145388877) is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen.
What is the SMILES notation for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen?
The canonical SMILES for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen is CCN(C)CCN=S(C)(C)=O.[H][H].
What is the InChIKey of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen?
The InChIKey is JSBUGKCIWYNCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2OS.H2/c1-5-9(2)7-6-8-11(3,4)10;/h5-7H2,1-4H3;1H.
What are the key properties of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen?
2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen has a molecular weight of 180.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethyl-N-methylethanamine;molecular hydrogen is sourced from PubChem (CID 145388877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).