3-(3-aminopyrrolidin-1-yl)propane-1-thiol

C7H16N2S — CID 84651115

IUPAC3-(3-aminopyrrolidin-1-yl)propane-1-thiol
SMILESNC1CCN(CCCS)C1
InChIInChI=1S/C7H16N2S/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6,8H2
InChIKeyDAKDBEIUVUHPHU-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.34
Rot. Bonds3

About 3-(3-aminopyrrolidin-1-yl)propane-1-thiol

3-(3-aminopyrrolidin-1-yl)propane-1-thiol (PubChem CID 84651115) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)propane-1-thiol.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)propane-1-thiol
PubChem CID84651115
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name3-(3-aminopyrrolidin-1-yl)propane-1-thiol
SMILESNC1CCN(CCCS)C1
InChIInChI=1S/C7H16N2S/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6,8H2
InChIKeyDAKDBEIUVUHPHU-UHFFFAOYSA-N
XLogP0.34
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-Pyrrolidin-1-ylethylamino)ethanethiol
CID 15773604
2-[(Dimethylamino)methyl]pyrrolidine-3-thiol
CID 20829765
2-[[Ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
CID 20829766
5-[(Dimethylamino)methyl]pyrrolidine-3-thiol
CID 22986110
5-[[Ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
CID 22986111
N-methyl-1-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 63964755
3-Amino-4-(diethylamino)butane-1-thiol
CID 87178251
2-[[(3R,4R)-4-(2-sulfanylethylamino)pyrrolidin-3-yl]amino]ethanethiol
CID 88286498
2-[[(3R)-pyrrolidin-3-yl]-(2-sulfanylethyl)amino]ethanethiol
CID 88314356
N-ethyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 89334796
Ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
CID 90687561
Ethane;2-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
CID 90962161

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)propane-1-thiol?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)propane-1-thiol (CID 84651115) is 3-(3-aminopyrrolidin-1-yl)propane-1-thiol.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)propane-1-thiol?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)propane-1-thiol is NC1CCN(CCCS)C1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)propane-1-thiol?
The InChIKey is DAKDBEIUVUHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6,8H2.
What are the key properties of 3-(3-aminopyrrolidin-1-yl)propane-1-thiol?
3-(3-aminopyrrolidin-1-yl)propane-1-thiol has a molecular weight of 160.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)propane-1-thiol is sourced from PubChem (CID 84651115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).