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

C10H20N2S — CID 62873138

IUPAC[1-(thian-3-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCCSC2)C1
InChIInChI=1S/C10H20N2S/c11-6-9-3-4-12(7-9)10-2-1-5-13-8-10/h9-10H,1-8,11H2
InChIKeyFIYXWAYSURVQEF-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.16
Rot. Bonds2

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

[1-(thian-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 62873138) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is [1-(thian-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(thian-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID62873138
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name[1-(thian-3-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCCSC2)C1
InChIInChI=1S/C10H20N2S/c11-6-9-3-4-12(7-9)10-2-1-5-13-8-10/h9-10H,1-8,11H2
InChIKeyFIYXWAYSURVQEF-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(thian-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(thian-3-yl)pyrrolidin-3-yl]methanamine (CID 62873138) is [1-(thian-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(thian-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(thian-3-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(C2CCCSC2)C1.
What is the InChIKey of [1-(thian-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is FIYXWAYSURVQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c11-6-9-3-4-12(7-9)10-2-1-5-13-8-10/h9-10H,1-8,11H2.
What are the key properties of [1-(thian-3-yl)pyrrolidin-3-yl]methanamine?
[1-(thian-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 200.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thian-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62873138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).