N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine

C12H25N3S — CID 82917200

IUPACN-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine
SMILESCN1CCC(CN(C)CC2CSCCN2)C1
InChIInChI=1S/C12H25N3S/c1-14-5-3-11(7-14)8-15(2)9-12-10-16-6-4-13-12/h11-13H,3-10H2,1-2H3
InChIKeyHFRNBRCINIBIDC-UHFFFAOYSA-N
MW243.42 g/mol
LogP0.57
Rot. Bonds4

About N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine

N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine (PubChem CID 82917200) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine
PubChem CID82917200
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine
SMILESCN1CCC(CN(C)CC2CSCCN2)C1
InChIInChI=1S/C12H25N3S/c1-14-5-3-11(7-14)8-15(2)9-12-10-16-6-4-13-12/h11-13H,3-10H2,1-2H3
InChIKeyHFRNBRCINIBIDC-UHFFFAOYSA-N
XLogP0.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941363
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
CID 102776007
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 114431138
1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine
CID 82916870
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
N,1-dimethyl-N-(1,3-thiazolidin-4-ylmethyl)piperidin-4-amine
CID 43199704
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66422861
1-cyclopropyl-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916645
N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine
CID 82915861
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 115240224

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine (CID 82917200) is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine is CN1CCC(CN(C)CC2CSCCN2)C1.
What is the InChIKey of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine?
The InChIKey is HFRNBRCINIBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-14-5-3-11(7-14)8-15(2)9-12-10-16-6-4-13-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine?
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine has a molecular weight of 243.42 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine is sourced from PubChem (CID 82917200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).