imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane

C5H12N2OS — CID 10081144

IUPACimino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCCC1
InChIInChI=1S/C5H12N2OS/c1-9(6,8)7-4-2-3-5-7/h6H,2-5H2,1H3
InChIKeyMYBUVORHYPOVSG-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.67
Rot. Bonds1

About imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane

imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane (PubChem CID 10081144) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane
PubChem CID10081144
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Nameimino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCCC1
InChIInChI=1S/C5H12N2OS/c1-9(6,8)7-4-2-3-5-7/h6H,2-5H2,1H3
InChIKeyMYBUVORHYPOVSG-UHFFFAOYSA-N
XLogP0.67
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methanesulfonylpyrrolidine
CID 3812935
3-Fluoro-1-methylsulfinylpyrrolidine
CID 167493477
3,3-difluoro-1-(S-methylsulfonimidoyl)pyrrolidine hydrochloride
CID 172885136
(3,3-Difluoropyrrolidin-1-yl)-imino-methyl-oxo-lambda6-sulfane
CID 172885137
1-Methylsulfinylpyrrolidine
CID 69491314
Methyl-methylimino-oxo-pyrrolidin-1-yl-lambda6-sulfane
CID 122496136
CID 123424760
CID 123424760
1-Propan-2-ylsulfinylpyrrolidine
CID 126646950
1-Propylsulfinylpyrrolidine
CID 130963156
2-Ethyl-1-imino-1,2-thiazolidine 1-oxide
CID 134485221
1-(N-amino-S-methylsulfonimidoyl)pyrrolidine
CID 134485232
1-(Amino-dimethyl-oxo-lambda6-sulfanyl)pyrrolidine
CID 134485238

Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane (CID 10081144) is imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane is [H]N=S(C)(=O)N1CCCC1.
What is the InChIKey of imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane?
The InChIKey is MYBUVORHYPOVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-9(6,8)7-4-2-3-5-7/h6H,2-5H2,1H3.
What are the key properties of imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane?
imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane has a molecular weight of 148.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-pyrrolidin-1-yl-λ6-sulfane is sourced from PubChem (CID 10081144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).