N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane

C9H22N2S — CID 156861475

IUPACN,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
SMILESC/N=C(\C)N(C)CCCS.CC
InChIInChI=1S/C7H16N2S.C2H6/c1-7(8-2)9(3)5-4-6-10;1-2/h10H,4-6H2,1-3H3;1-2H3/b8-7+;
InChIKeyJGJJNUSGEKYVSZ-USRGLUTNSA-N
MW190.36 g/mol
LogP2.31
Rot. Bonds3

About N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane

N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane (PubChem CID 156861475) has the molecular formula C9H22N2S and a molecular weight of 190.36 g/mol. Its IUPAC name is N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane.

Molecular Properties

Compound NameN,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
PubChem CID156861475
Molecular FormulaC9H22N2S
Molecular Weight190.36 g/mol
Exact Mass190.15
IUPAC NameN,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
SMILESC/N=C(\C)N(C)CCCS.CC
InChIInChI=1S/C7H16N2S.C2H6/c1-7(8-2)9(3)5-4-6-10;1-2/h10H,4-6H2,1-3H3;1-2H3/b8-7+;
InChIKeyJGJJNUSGEKYVSZ-USRGLUTNSA-N
XLogP2.31
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol
CID 19069722
N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
CID 123463688
1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde
CID 123750285
N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide;ethane
CID 144623062
N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 156751202
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
CID 163429469
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
[1-(Diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium
CID 101120563
N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide
CID 144623063
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide
CID 156861476
N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645841

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane?
The IUPAC name of N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane (CID 156861475) is N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane.
What is the SMILES notation for N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane?
The canonical SMILES for N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane is C/N=C(\C)N(C)CCCS.CC.
What is the InChIKey of N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane?
The InChIKey is JGJJNUSGEKYVSZ-USRGLUTNSA-N. The full InChI is InChI=1S/C7H16N2S.C2H6/c1-7(8-2)9(3)5-4-6-10;1-2/h10H,4-6H2,1-3H3;1-2H3/b8-7+;.
What are the key properties of N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane?
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane has a molecular weight of 190.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane is sourced from PubChem (CID 156861475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).