N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide

C7H14N2S — CID 143366592

IUPACN'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide
SMILESCC/N=C/N=C/C(C)(C)S
InChIInChI=1S/C7H14N2S/c1-4-8-6-9-5-7(2,3)10/h5-6,10H,4H2,1-3H3/b8-6+,9-5+
InChIKeyFSFJZAOTVRGIBE-RFSWUZDDSA-N
MW158.27 g/mol
LogP1.81
Rot. Bonds3

About N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide

N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide (PubChem CID 143366592) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide
PubChem CID143366592
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide
SMILESCC/N=C/N=C/C(C)(C)S
InChIInChI=1S/C7H14N2S/c1-4-8-6-9-5-7(2,3)10/h5-6,10H,4H2,1-3H3/b8-6+,9-5+
InChIKeyFSFJZAOTVRGIBE-RFSWUZDDSA-N
XLogP1.81
TPSA24.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.81
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-ethylimino-2-methylbutan-2-amine
CID 129033469
N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine
CID 161369212
N-(ethyliminomethyl)ethanimidoyl chloride
CID 164996228
N-ethylmethanimidoyl fluoride
CID 145275129
N-ethyl-3,3-dimethylpent-4-en-1-imine
CID 13119720
N'-(ethyliminomethyl)-N,N-dimethylethanimidamide
CID 123345967
N'-[3,3-bis(sulfanyl)butyl]-N-methylidenemethanimidamide
CID 166768309
2-methyl-2-sulfanylpropanal
CID 21408508
3,6-diisocyanato-3,6-dimethyloctane
CID 20528064
2-isothiocyanatobutane-2-thiol
CID 174815077
2-isocyanato-2-methylpropane;octane
CID 19005108
2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine
CID 118185042

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide?
The IUPAC name of N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide (CID 143366592) is N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide.
What is the SMILES notation for N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide?
The canonical SMILES for N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide is CC/N=C/N=C/C(C)(C)S.
What is the InChIKey of N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide?
The InChIKey is FSFJZAOTVRGIBE-RFSWUZDDSA-N. The full InChI is InChI=1S/C7H14N2S/c1-4-8-6-9-5-7(2,3)10/h5-6,10H,4H2,1-3H3/b8-6+,9-5+.
What are the key properties of N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide?
N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide has a molecular weight of 158.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide is sourced from PubChem (CID 143366592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).