1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine

C10H21N3S — CID 103815407

IUPAC1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
SMILESNC1CCN(CCN2CCSCC2)C1
InChIInChI=1S/C10H21N3S/c11-10-1-2-13(9-10)4-3-12-5-7-14-8-6-12/h10H,1-9,11H2
InChIKeyQUKZKOKVBWMJTC-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.07
Rot. Bonds3

About 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine

1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine (PubChem CID 103815407) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
PubChem CID103815407
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
SMILESNC1CCN(CCN2CCSCC2)C1
InChIInChI=1S/C10H21N3S/c11-10-1-2-13(9-10)4-3-12-5-7-14-8-6-12/h10H,1-9,11H2
InChIKeyQUKZKOKVBWMJTC-UHFFFAOYSA-N
XLogP0.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 103815455
1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328360
3-(3-aminopyrrolidin-1-yl)propane-1-thiol
CID 84651115
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen
CID 153346561
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine
CID 163451495
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]piperidin-4-amine
CID 107456029
(3S)-1-pent-4-enylpyrrolidin-3-amine
CID 81491802

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine (CID 103815407) is 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine is NC1CCN(CCN2CCSCC2)C1.
What is the InChIKey of 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine?
The InChIKey is QUKZKOKVBWMJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c11-10-1-2-13(9-10)4-3-12-5-7-14-8-6-12/h10H,1-9,11H2.
What are the key properties of 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine?
1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine has a molecular weight of 215.37 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 103815407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).