5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol

C13H20N2OS — CID 66055367

IUPAC5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol
SMILESOC1CNC(CN(Cc2ccsc2)C2CC2)C1
InChIInChI=1S/C13H20N2OS/c16-13-5-11(14-6-13)8-15(12-1-2-12)7-10-3-4-17-9-10/h3-4,9,11-14,16H,1-2,5-8H2
InChIKeyDTUJBIVPIQVAKC-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.44
Rot. Bonds5

About 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol

5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 66055367) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol
PubChem CID66055367
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol
SMILESOC1CNC(CN(Cc2ccsc2)C2CC2)C1
InChIInChI=1S/C13H20N2OS/c16-13-5-11(14-6-13)8-15(12-1-2-12)7-10-3-4-17-9-10/h3-4,9,11-14,16H,1-2,5-8H2
InChIKeyDTUJBIVPIQVAKC-UHFFFAOYSA-N
XLogP1.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 66469414
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849446
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62212509
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63493524
4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940728

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol (CID 66055367) is 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol is OC1CNC(CN(Cc2ccsc2)C2CC2)C1.
What is the InChIKey of 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is DTUJBIVPIQVAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c16-13-5-11(14-6-13)8-15(12-1-2-12)7-10-3-4-17-9-10/h3-4,9,11-14,16H,1-2,5-8H2.
What are the key properties of 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol?
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 252.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).