N-methylsulfanyl-1-pyrrolidin-1-ylethanimine

C7H14N2S — CID 123991941

IUPACN-methylsulfanyl-1-pyrrolidin-1-ylethanimine
SMILESCSN=C(C)N1CCCC1
InChIInChI=1S/C7H14N2S/c1-7(8-10-2)9-5-3-4-6-9/h3-6H2,1-2H3
InChIKeyPPIZYVGEKYWLQH-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.78
Rot. Bonds1

About N-methylsulfanyl-1-pyrrolidin-1-ylethanimine

N-methylsulfanyl-1-pyrrolidin-1-ylethanimine (PubChem CID 123991941) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-methylsulfanyl-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound NameN-methylsulfanyl-1-pyrrolidin-1-ylethanimine
PubChem CID123991941
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-methylsulfanyl-1-pyrrolidin-1-ylethanimine
SMILESCSN=C(C)N1CCCC1
InChIInChI=1S/C7H14N2S/c1-7(8-10-2)9-5-3-4-6-9/h3-6H2,1-2H3
InChIKeyPPIZYVGEKYWLQH-UHFFFAOYSA-N
XLogP1.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.78
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

(NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
CID 58717240
N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
CID 72400144
N-methylsulfanyl-1-pyrrolidin-1-ylmethanimine
CID 123320233
(NE)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
CID 142943748
N-methyl-1-methylsulfanylpyrrolidin-2-imine
CID 166800640
N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine
CID 173297109
1-(Methylsulfanyliminomethyl)pyrrolidin-2-imine
CID 174029301
N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine
CID 174062405

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1-pyrrolidin-1-ylethanimine?
The IUPAC name of N-methylsulfanyl-1-pyrrolidin-1-ylethanimine (CID 123991941) is N-methylsulfanyl-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for N-methylsulfanyl-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for N-methylsulfanyl-1-pyrrolidin-1-ylethanimine is CSN=C(C)N1CCCC1.
What is the InChIKey of N-methylsulfanyl-1-pyrrolidin-1-ylethanimine?
The InChIKey is PPIZYVGEKYWLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-7(8-10-2)9-5-3-4-6-9/h3-6H2,1-2H3.
What are the key properties of N-methylsulfanyl-1-pyrrolidin-1-ylethanimine?
N-methylsulfanyl-1-pyrrolidin-1-ylethanimine has a molecular weight of 158.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 123991941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).