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

C7H16N2S — CID 156861476

IUPACN,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide
SMILESC/N=C(\C)N(C)CCCS
InChIInChI=1S/C7H16N2S/c1-7(8-2)9(3)5-4-6-10/h10H,4-6H2,1-3H3/b8-7+
InChIKeyPXXJUSUWYSBGFK-BQYQJAHWSA-N
MW160.29 g/mol
LogP1.29
Rot. Bonds3

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

N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide (PubChem CID 156861476) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide
PubChem CID156861476
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide
SMILESC/N=C(\C)N(C)CCCS
InChIInChI=1S/C7H16N2S/c1-7(8-2)9(3)5-4-6-10/h10H,4-6H2,1-3H3/b8-7+
InChIKeyPXXJUSUWYSBGFK-BQYQJAHWSA-N
XLogP1.29
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.29
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
(1-Methyl-4,5-dihydroimidazol-2-yl)methanethiol
CID 57292405
1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde
CID 123750285
1-Methyl-5-methyliminopyrrolidine-3-thiol
CID 147486552
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
CID 163429469
N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164812943
1-(2-Methyliminopyrrolidin-1-yl)ethanethiol
CID 169679715
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
5-(Dimethylamino)-3,4-dihydro-2H-pyrrole-4-thiol
CID 13892095
2-(2-Methyl-4,5-dihydroimidazol-1-yl)ethanethiol
CID 85809759

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide?
The IUPAC name of N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide (CID 156861476) is N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide?
The canonical SMILES for N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide is C/N=C(\C)N(C)CCCS.
What is the InChIKey of N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide?
The InChIKey is PXXJUSUWYSBGFK-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2S/c1-7(8-2)9(3)5-4-6-10/h10H,4-6H2,1-3H3/b8-7+.
What are the key properties of N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide?
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide has a molecular weight of 160.29 g/mol, XLogP of 1.29, 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 is sourced from PubChem (CID 156861476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).