N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine

C10H20N2S — CID 43181582

IUPACN-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
SMILESC1CCN(CCNC2CCSC2)C1
InChIInChI=1S/C10H20N2S/c1-2-6-12(5-1)7-4-11-10-3-8-13-9-10/h10-11H,1-9H2
InChIKeyCPGHDBVAUVXFHR-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.18
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine

N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine (PubChem CID 43181582) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
PubChem CID43181582
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
SMILESC1CCN(CCNC2CCSC2)C1
InChIInChI=1S/C10H20N2S/c1-2-6-12(5-1)7-4-11-10-3-8-13-9-10/h10-11H,1-9H2
InChIKeyCPGHDBVAUVXFHR-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine
CID 758325
(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
CID 94887182
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one
CID 115717983
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine
CID 115889210
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-(2-methyl-3-piperidin-1-ylpropyl)thiolan-3-amine
CID 61020549

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine (CID 43181582) is N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine is C1CCN(CCNC2CCSC2)C1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The InChIKey is CPGHDBVAUVXFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-6-12(5-1)7-4-11-10-3-8-13-9-10/h10-11H,1-9H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine is sourced from PubChem (CID 43181582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).