(1-methylpyrrolidin-3-yl)methanesulfinamide

C6H14N2OS — CID 154660434

IUPAC(1-methylpyrrolidin-3-yl)methanesulfinamide
SMILESCN1CCC(CS(N)=O)C1
InChIInChI=1S/C6H14N2OS/c1-8-3-2-6(4-8)5-10(7)9/h6H,2-5,7H2,1H3
InChIKeyTYXOTIHEVSOHNF-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.44
Rot. Bonds2

About (1-methylpyrrolidin-3-yl)methanesulfinamide

(1-methylpyrrolidin-3-yl)methanesulfinamide (PubChem CID 154660434) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)methanesulfinamide.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)methanesulfinamide
PubChem CID154660434
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name(1-methylpyrrolidin-3-yl)methanesulfinamide
SMILESCN1CCC(CS(N)=O)C1
InChIInChI=1S/C6H14N2OS/c1-8-3-2-6(4-8)5-10(7)9/h6H,2-5,7H2,1H3
InChIKeyTYXOTIHEVSOHNF-UHFFFAOYSA-N
XLogP-0.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-(methylsulfinylmethyl)pyrrolidine
CID 58354926
1-(2-Methylpropylsulfinyl)pyrrolidine
CID 58641916
2-(2-Methylpropyl)-1,2-thiazolidine 1-oxide
CID 58984282
1-Ethylsulfonyl-3-methylpyrrolidine
CID 62735012
Imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-lambda6-sulfane
CID 90139503
1-Methyl-3-pyrrolidinesulfonamide
CID 114987899
(3R)-1-methylpyrrolidine-3-sulfonamide
CID 118346491
1-Ethyl-3-pyrrolidinesulfonamide
CID 127736238
N-methyl-3-pyrrolidinylmesylate
CID 131714710
Imino-methyl-(1-methylpyrrolidin-3-yl)-oxo-lambda6-sulfane
CID 132081904
2-Ethyl-1-imino-1,2-thiazolidine 1-oxide
CID 134485221
[1-(Iodomethyl)pyrrolidin-3-yl]methanesulfonamide
CID 137500259

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)methanesulfinamide?
The IUPAC name of (1-methylpyrrolidin-3-yl)methanesulfinamide (CID 154660434) is (1-methylpyrrolidin-3-yl)methanesulfinamide.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)methanesulfinamide?
The canonical SMILES for (1-methylpyrrolidin-3-yl)methanesulfinamide is CN1CCC(CS(N)=O)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)methanesulfinamide?
The InChIKey is TYXOTIHEVSOHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-8-3-2-6(4-8)5-10(7)9/h6H,2-5,7H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl)methanesulfinamide?
(1-methylpyrrolidin-3-yl)methanesulfinamide has a molecular weight of 162.26 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)methanesulfinamide is sourced from PubChem (CID 154660434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).