2-(2-methylpropylsulfanyl)-N'-propylethanimidamide

C9H20N2S — CID 65137142

IUPAC2-(2-methylpropylsulfanyl)-N'-propylethanimidamide
SMILESCCC/N=C(/N)CSCC(C)C
InChIInChI=1S/C9H20N2S/c1-4-5-11-9(10)7-12-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11)
InChIKeyWJXYTXWVPIWDNV-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide

2-(2-methylpropylsulfanyl)-N'-propylethanimidamide (PubChem CID 65137142) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-N'-propylethanimidamide
PubChem CID65137142
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-(2-methylpropylsulfanyl)-N'-propylethanimidamide
SMILESCCC/N=C(/N)CSCC(C)C
InChIInChI=1S/C9H20N2S/c1-4-5-11-9(10)7-12-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11)
InChIKeyWJXYTXWVPIWDNV-UHFFFAOYSA-N
XLogP2.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide?
The IUPAC name of 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide (CID 65137142) is 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide is CCC/N=C(/N)CSCC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide?
The InChIKey is WJXYTXWVPIWDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-4-5-11-9(10)7-12-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide?
2-(2-methylpropylsulfanyl)-N'-propylethanimidamide has a molecular weight of 188.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-N'-propylethanimidamide is sourced from PubChem (CID 65137142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).