1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol

C12H16N2OS — CID 62942640

IUPAC1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
SMILESNCC#Cc1csc(CN2CCC(O)C2)c1
InChIInChI=1S/C12H16N2OS/c13-4-1-2-10-6-12(16-9-10)8-14-5-3-11(15)7-14/h6,9,11,15H,3-5,7-8,13H2
InChIKeyUFUWCVWHDAHDGI-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.62
Rot. Bonds2

About 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol

1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 62942640) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
PubChem CID62942640
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
SMILESNCC#Cc1csc(CN2CCC(O)C2)c1
InChIInChI=1S/C12H16N2OS/c13-4-1-2-10-6-12(16-9-10)8-14-5-3-11(15)7-14/h6,9,11,15H,3-5,7-8,13H2
InChIKeyUFUWCVWHDAHDGI-UHFFFAOYSA-N
XLogP0.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
CID 62942831
3-[5-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636856
1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-cyclopropylimidazol-2-one
CID 80582042
(3R,4R)-1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 28768593
3-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 62930755
1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,4-diazepan-5-one
CID 55136042
(3S,4R)-1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50985347
3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 81219294
3-[5-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131909002
4-[5-[(4-methylazepan-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 55249794
4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81219215
7-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096592

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol (CID 62942640) is 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol is NCC#Cc1csc(CN2CCC(O)C2)c1.
What is the InChIKey of 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is UFUWCVWHDAHDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-4-1-2-10-6-12(16-9-10)8-14-5-3-11(15)7-14/h6,9,11,15H,3-5,7-8,13H2.
What are the key properties of 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 236.34 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).