(3-pyrrolidin-1-ylthiolan-3-yl)methanamine

C9H18N2S — CID 24692296

IUPAC(3-pyrrolidin-1-ylthiolan-3-yl)methanamine
SMILESNCC1(N2CCCC2)CCSC1
InChIInChI=1S/C9H18N2S/c10-7-9(3-6-12-8-9)11-4-1-2-5-11/h1-8,10H2
InChIKeyNQUVWOBHTCISDA-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.92
Rot. Bonds2

About (3-pyrrolidin-1-ylthiolan-3-yl)methanamine

(3-pyrrolidin-1-ylthiolan-3-yl)methanamine (PubChem CID 24692296) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylthiolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylthiolan-3-yl)methanamine
PubChem CID24692296
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(3-pyrrolidin-1-ylthiolan-3-yl)methanamine
SMILESNCC1(N2CCCC2)CCSC1
InChIInChI=1S/C9H18N2S/c10-7-9(3-6-12-8-9)11-4-1-2-5-11/h1-8,10H2
InChIKeyNQUVWOBHTCISDA-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylthiolan-3-yl)methanamine?
The IUPAC name of (3-pyrrolidin-1-ylthiolan-3-yl)methanamine (CID 24692296) is (3-pyrrolidin-1-ylthiolan-3-yl)methanamine.
What is the SMILES notation for (3-pyrrolidin-1-ylthiolan-3-yl)methanamine?
The canonical SMILES for (3-pyrrolidin-1-ylthiolan-3-yl)methanamine is NCC1(N2CCCC2)CCSC1.
What is the InChIKey of (3-pyrrolidin-1-ylthiolan-3-yl)methanamine?
The InChIKey is NQUVWOBHTCISDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c10-7-9(3-6-12-8-9)11-4-1-2-5-11/h1-8,10H2.
What are the key properties of (3-pyrrolidin-1-ylthiolan-3-yl)methanamine?
(3-pyrrolidin-1-ylthiolan-3-yl)methanamine has a molecular weight of 186.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylthiolan-3-yl)methanamine is sourced from PubChem (CID 24692296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).