N'-(2-methylpropylsulfanyl)methanimidamide

C5H12N2S — CID 143071544

IUPACN'-(2-methylpropylsulfanyl)methanimidamide
SMILESCC(C)CS/N=C\N
InChIInChI=1S/C5H12N2S/c1-5(2)3-8-7-4-6/h4-5H,3H2,1-2H3,(H2,6,7)
InChIKeyMIXKGBMFOMRZGO-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.28
Rot. Bonds3

About N'-(2-methylpropylsulfanyl)methanimidamide

N'-(2-methylpropylsulfanyl)methanimidamide (PubChem CID 143071544) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N'-(2-methylpropylsulfanyl)methanimidamide.

Molecular Properties

Compound NameN'-(2-methylpropylsulfanyl)methanimidamide
PubChem CID143071544
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN'-(2-methylpropylsulfanyl)methanimidamide
SMILESCC(C)CS/N=C\N
InChIInChI=1S/C5H12N2S/c1-5(2)3-8-7-4-6/h4-5H,3H2,1-2H3,(H2,6,7)
InChIKeyMIXKGBMFOMRZGO-UHFFFAOYSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.28
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropylsulfanyl)methanimidamide?
The IUPAC name of N'-(2-methylpropylsulfanyl)methanimidamide (CID 143071544) is N'-(2-methylpropylsulfanyl)methanimidamide.
What is the SMILES notation for N'-(2-methylpropylsulfanyl)methanimidamide?
The canonical SMILES for N'-(2-methylpropylsulfanyl)methanimidamide is CC(C)CS/N=C\N.
What is the InChIKey of N'-(2-methylpropylsulfanyl)methanimidamide?
The InChIKey is MIXKGBMFOMRZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-5(2)3-8-7-4-6/h4-5H,3H2,1-2H3,(H2,6,7).
What are the key properties of N'-(2-methylpropylsulfanyl)methanimidamide?
N'-(2-methylpropylsulfanyl)methanimidamide has a molecular weight of 132.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropylsulfanyl)methanimidamide is sourced from PubChem (CID 143071544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).