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

C10H20N2S — CID 62872731

IUPAC(3-pyrrolidin-1-ylthian-3-yl)methanamine
SMILESNCC1(N2CCCC2)CCCSC1
InChIInChI=1S/C10H20N2S/c11-8-10(4-3-7-13-9-10)12-5-1-2-6-12/h1-9,11H2
InChIKeyZQECYILXRYFKCO-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.31
Rot. Bonds2

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

(3-pyrrolidin-1-ylthian-3-yl)methanamine (PubChem CID 62872731) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylthian-3-yl)methanamine.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylthian-3-yl)methanamine
PubChem CID62872731
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(3-pyrrolidin-1-ylthian-3-yl)methanamine
SMILESNCC1(N2CCCC2)CCCSC1
InChIInChI=1S/C10H20N2S/c11-8-10(4-3-7-13-9-10)12-5-1-2-6-12/h1-9,11H2
InChIKeyZQECYILXRYFKCO-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 131352232
CID 24692070
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CID 24692296
CID 24692296
CID 24694149
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CID 24694609
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CID 24697068
CID 24697068
CID 24697187
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CID 24697263
CID 24697263

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylthian-3-yl)methanamine?
The IUPAC name of (3-pyrrolidin-1-ylthian-3-yl)methanamine (CID 62872731) is (3-pyrrolidin-1-ylthian-3-yl)methanamine.
What is the SMILES notation for (3-pyrrolidin-1-ylthian-3-yl)methanamine?
The canonical SMILES for (3-pyrrolidin-1-ylthian-3-yl)methanamine is NCC1(N2CCCC2)CCCSC1.
What is the InChIKey of (3-pyrrolidin-1-ylthian-3-yl)methanamine?
The InChIKey is ZQECYILXRYFKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c11-8-10(4-3-7-13-9-10)12-5-1-2-6-12/h1-9,11H2.
What are the key properties of (3-pyrrolidin-1-ylthian-3-yl)methanamine?
(3-pyrrolidin-1-ylthian-3-yl)methanamine has a molecular weight of 200.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylthian-3-yl)methanamine is sourced from PubChem (CID 62872731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).