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

C10H20N2S — CID 84733799

IUPAC3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
SMILESNC1(CCN2CCCC2)CCSC1
InChIInChI=1S/C10H20N2S/c11-10(4-8-13-9-10)3-7-12-5-1-2-6-12/h1-9,11H2
InChIKeySEDRKRVNANOQJJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.31
Rot. Bonds3

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

3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine (PubChem CID 84733799) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
PubChem CID84733799
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
SMILESNC1(CCN2CCCC2)CCSC1
InChIInChI=1S/C10H20N2S/c11-10(4-8-13-9-10)3-7-12-5-1-2-6-12/h1-9,11H2
InChIKeySEDRKRVNANOQJJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-(4-Pyrrolidin-1-ylthian-4-yl)ethanamine
CID 131352232
5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 139315713
N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 139315769
[1-(Thiolan-3-yl)pyrrolidin-3-yl]methanamine
CID 62068984
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylthiolan-3-amine
CID 63143267
N-methyl-N-(2-pyrrolidin-3-ylethyl)thiolan-3-amine
CID 65956810
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]thiolan-3-amine
CID 79384937
[1-(5-Methylthiolan-3-yl)pyrrolidin-3-yl]methanamine
CID 79949661
N-methyl-1-[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 80585257
3-pyrrolidin-1-yl-N-(thiolan-2-ylmethyl)propan-1-amine
CID 80585544
2-methyl-N-[[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 80585593
2-methyl-N-[[1-(thiolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 80585620

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine (CID 84733799) is 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine is NC1(CCN2CCCC2)CCSC1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
The InChIKey is SEDRKRVNANOQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c11-10(4-8-13-9-10)3-7-12-5-1-2-6-12/h1-9,11H2.
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine?
3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)thiolan-3-amine is sourced from PubChem (CID 84733799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).