N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine

C11H22N2S — CID 80585257

IUPACN-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CC2CCCS2)C1
InChIInChI=1S/C11H22N2S/c1-12-7-10-4-5-13(8-10)9-11-3-2-6-14-11/h10-12H,2-9H2,1H3
InChIKeyRMATXTQSPUYFDD-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine (PubChem CID 80585257) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine
PubChem CID80585257
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CC2CCCS2)C1
InChIInChI=1S/C11H22N2S/c1-12-7-10-4-5-13(8-10)9-11-3-2-6-14-11/h10-12H,2-9H2,1H3
InChIKeyRMATXTQSPUYFDD-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine (CID 80585257) is N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(CC2CCCS2)C1.
What is the InChIKey of N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is RMATXTQSPUYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-12-7-10-4-5-13(8-10)9-11-3-2-6-14-11/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 80585257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).