[1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine

C9H18N2S — CID 62068984

IUPAC[1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCSC2)C1
InChIInChI=1S/C9H18N2S/c10-5-8-1-3-11(6-8)9-2-4-12-7-9/h8-9H,1-7,10H2
InChIKeyNAGYDSFZTKIJKD-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.77
Rot. Bonds2

About [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine

[1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 62068984) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID62068984
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name[1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCSC2)C1
InChIInChI=1S/C9H18N2S/c10-5-8-1-3-11(6-8)9-2-4-12-7-9/h8-9H,1-7,10H2
InChIKeyNAGYDSFZTKIJKD-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine (CID 62068984) is [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(C2CCSC2)C1.
What is the InChIKey of [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is NAGYDSFZTKIJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c10-5-8-1-3-11(6-8)9-2-4-12-7-9/h8-9H,1-7,10H2.
What are the key properties of [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine?
[1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 186.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiolan-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62068984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).