N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine

C8H18N2OS — CID 59475898

IUPACN-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine
SMILESC=S(C)(=O)NC[C@@H]1CCCN1C
InChIInChI=1S/C8H18N2OS/c1-10-6-4-5-8(10)7-9-12(2,3)11/h8H,2,4-7H2,1,3H3,(H,9,11)/t8-,12?/m0/s1
InChIKeyJNCLYIKQXYFYRW-KBPLZSHQSA-N
MW190.31 g/mol
LogP-0.07
Rot. Bonds3

About N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine

N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine (PubChem CID 59475898) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine
PubChem CID59475898
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine
SMILESC=S(C)(=O)NC[C@@H]1CCCN1C
InChIInChI=1S/C8H18N2OS/c1-10-6-4-5-8(10)7-9-12(2,3)11/h8H,2,4-7H2,1,3H3,(H,9,11)/t8-,12?/m0/s1
InChIKeyJNCLYIKQXYFYRW-KBPLZSHQSA-N
XLogP-0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine (CID 59475898) is N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine is C=S(C)(=O)NC[C@@H]1CCCN1C.
What is the InChIKey of N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
The InChIKey is JNCLYIKQXYFYRW-KBPLZSHQSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-10-6-4-5-8(10)7-9-12(2,3)11/h8H,2,4-7H2,1,3H3,(H,9,11)/t8-,12?/m0/s1.
What are the key properties of N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine has a molecular weight of 190.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 59475898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).