N-ethylsulfanyl-N-methyl-N'-propylethanimidamide

C8H18N2S — CID 138571649

IUPACN-ethylsulfanyl-N-methyl-N'-propylethanimidamide
SMILESCCC/N=C(\C)N(C)SCC
InChIInChI=1S/C8H18N2S/c1-5-7-9-8(3)10(4)11-6-2/h5-7H2,1-4H3/b9-8+
InChIKeyIIKXPPKOVJYNBR-CMDGGOBGSA-N
MW174.31 g/mol
LogP2.41
Rot. Bonds4

About N-ethylsulfanyl-N-methyl-N'-propylethanimidamide

N-ethylsulfanyl-N-methyl-N'-propylethanimidamide (PubChem CID 138571649) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-ethylsulfanyl-N-methyl-N'-propylethanimidamide.

Molecular Properties

Compound NameN-ethylsulfanyl-N-methyl-N'-propylethanimidamide
PubChem CID138571649
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-ethylsulfanyl-N-methyl-N'-propylethanimidamide
SMILESCCC/N=C(\C)N(C)SCC
InChIInChI=1S/C8H18N2S/c1-5-7-9-8(3)10(4)11-6-2/h5-7H2,1-4H3/b9-8+
InChIKeyIIKXPPKOVJYNBR-CMDGGOBGSA-N
XLogP2.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-decylsulfanyl-N,N'-dimethylethanimidamide
CID 21528755
N-cyclohexylsulfanyl-N,N'-dimethylethanimidamide
CID 21528775
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfanyl-N-methyl-N'-propylethanimidamide?
The IUPAC name of N-ethylsulfanyl-N-methyl-N'-propylethanimidamide (CID 138571649) is N-ethylsulfanyl-N-methyl-N'-propylethanimidamide.
What is the SMILES notation for N-ethylsulfanyl-N-methyl-N'-propylethanimidamide?
The canonical SMILES for N-ethylsulfanyl-N-methyl-N'-propylethanimidamide is CCC/N=C(\C)N(C)SCC.
What is the InChIKey of N-ethylsulfanyl-N-methyl-N'-propylethanimidamide?
The InChIKey is IIKXPPKOVJYNBR-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2S/c1-5-7-9-8(3)10(4)11-6-2/h5-7H2,1-4H3/b9-8+.
What are the key properties of N-ethylsulfanyl-N-methyl-N'-propylethanimidamide?
N-ethylsulfanyl-N-methyl-N'-propylethanimidamide has a molecular weight of 174.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfanyl-N-methyl-N'-propylethanimidamide is sourced from PubChem (CID 138571649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).