N'-(4-methylthiolan-3-yl)ethanimidamide

C7H14N2S — CID 130899196

IUPACN'-(4-methylthiolan-3-yl)ethanimidamide
SMILESC/C(N)=N\C1CSCC1C
InChIInChI=1S/C7H14N2S/c1-5-3-10-4-7(5)9-6(2)8/h5,7H,3-4H2,1-2H3,(H2,8,9)
InChIKeyOWUNHHMOLSMPND-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.12
Rot. Bonds1

About N'-(4-methylthiolan-3-yl)ethanimidamide

N'-(4-methylthiolan-3-yl)ethanimidamide (PubChem CID 130899196) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N'-(4-methylthiolan-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-methylthiolan-3-yl)ethanimidamide
PubChem CID130899196
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN'-(4-methylthiolan-3-yl)ethanimidamide
SMILESC/C(N)=N\C1CSCC1C
InChIInChI=1S/C7H14N2S/c1-5-3-10-4-7(5)9-6(2)8/h5,7H,3-4H2,1-2H3,(H2,8,9)
InChIKeyOWUNHHMOLSMPND-UHFFFAOYSA-N
XLogP1.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.12
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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Related Compounds

N'-(4-methyloxolan-3-yl)ethanimidamide
CID 170275954
(3S,4R)-4-methylthiolan-3-ol
CID 10374449
(3S,4R)-4-methylthiolan-3-amine
CID 55284315
N'-(2-methylcyclohexyl)cyclopropanecarboximidamide
CID 63178920
N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide
CID 63173030
1-amino-2-(2-methylcyclopropyl)guanidine
CID 64873830
N'-(2-methylcyclohexyl)propanimidamide
CID 63178869
3-methyl-4-propan-2-ylthiolane
CID 59596318
1-cyclopropyl-2-(1,3-dimethylpiperidin-4-yl)guanidine
CID 115600959
tert-butyl 3-(1-aminoethylideneamino)-4-hydroxypiperidine-1-carboxylate
CID 178140697
1-cyclopropyl-2-(2,3-dimethylcyclobutyl)guanidine
CID 130993715
3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 131198222

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylthiolan-3-yl)ethanimidamide?
The IUPAC name of N'-(4-methylthiolan-3-yl)ethanimidamide (CID 130899196) is N'-(4-methylthiolan-3-yl)ethanimidamide.
What is the SMILES notation for N'-(4-methylthiolan-3-yl)ethanimidamide?
The canonical SMILES for N'-(4-methylthiolan-3-yl)ethanimidamide is C/C(N)=N\C1CSCC1C.
What is the InChIKey of N'-(4-methylthiolan-3-yl)ethanimidamide?
The InChIKey is OWUNHHMOLSMPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-5-3-10-4-7(5)9-6(2)8/h5,7H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-(4-methylthiolan-3-yl)ethanimidamide?
N'-(4-methylthiolan-3-yl)ethanimidamide has a molecular weight of 158.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylthiolan-3-yl)ethanimidamide is sourced from PubChem (CID 130899196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).