N-[3-(dimethylamino)propyl]methanesulfinamide;ethane

C8H22N2OS — CID 145388779

IUPACN-[3-(dimethylamino)propyl]methanesulfinamide;ethane
SMILESCC.CN(C)CCCNS(C)=O
InChIInChI=1S/C6H16N2OS.C2H6/c1-8(2)6-4-5-7-10(3)9;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyNVRCJNAMGWSAJC-UHFFFAOYSA-N
MW194.34 g/mol
LogP0.85
Rot. Bonds5

About N-[3-(dimethylamino)propyl]methanesulfinamide;ethane

N-[3-(dimethylamino)propyl]methanesulfinamide;ethane (PubChem CID 145388779) has the molecular formula C8H22N2OS and a molecular weight of 194.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]methanesulfinamide;ethane.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]methanesulfinamide;ethane
PubChem CID145388779
Molecular FormulaC8H22N2OS
Molecular Weight194.34 g/mol
Exact Mass194.15
IUPAC NameN-[3-(dimethylamino)propyl]methanesulfinamide;ethane
SMILESCC.CN(C)CCCNS(C)=O
InChIInChI=1S/C6H16N2OS.C2H6/c1-8(2)6-4-5-7-10(3)9;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyNVRCJNAMGWSAJC-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methanesulfonamide, N-[3-(diethylamino)propyl]-
CID 3330231
N-[3-(dimethylamino)propyl]methanesulfonamide
CID 4649199
3-(Methanesulfonamido)propyl-trimethylazanium
CID 18725235
N-[3-(dibutylamino)propyl]methanesulfonamide
CID 23573808
N',N'-dimethyl-N-propan-2-ylsulfanylpropane-1,3-diamine
CID 88915698
N',N'-dimethyl-N-methylsulfanylpropane-1,3-diamine
CID 88958902
N-[3-[ethyl(methyl)amino]propyl]methanesulfonamide
CID 89628768
N-[3-[butyl(methyl)amino]propyl]methanesulfonamide
CID 117884052
N',N'-diethyl-N-methylsulfanylpropane-1,3-diamine
CID 123272375
N-[dimethyl(methylsulfanyl)-lambda4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine
CID 123554832
N-[3-(methylamino)propyl]methanesulfinamide
CID 126639205
3-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-methylpropan-1-amine
CID 131126138

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]methanesulfinamide;ethane?
The IUPAC name of N-[3-(dimethylamino)propyl]methanesulfinamide;ethane (CID 145388779) is N-[3-(dimethylamino)propyl]methanesulfinamide;ethane.
What is the SMILES notation for N-[3-(dimethylamino)propyl]methanesulfinamide;ethane?
The canonical SMILES for N-[3-(dimethylamino)propyl]methanesulfinamide;ethane is CC.CN(C)CCCNS(C)=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]methanesulfinamide;ethane?
The InChIKey is NVRCJNAMGWSAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS.C2H6/c1-8(2)6-4-5-7-10(3)9;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]methanesulfinamide;ethane?
N-[3-(dimethylamino)propyl]methanesulfinamide;ethane has a molecular weight of 194.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]methanesulfinamide;ethane is sourced from PubChem (CID 145388779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).