3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

C15H22N2OS — CID 79315137

IUPAC3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCN(Cc1sccc1C#CCO)CC1CCCN1C
InChIInChI=1S/C15H22N2OS/c1-16(11-14-6-3-8-17(14)2)12-15-13(5-4-9-18)7-10-19-15/h7,10,14,18H,3,6,8-9,11-12H2,1-2H3
InChIKeyIDPNYDUZCLSCCL-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.62
Rot. Bonds4

About 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 79315137) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID79315137
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCN(Cc1sccc1C#CCO)CC1CCCN1C
InChIInChI=1S/C15H22N2OS/c1-16(11-14-6-3-8-17(14)2)12-15-13(5-4-9-18)7-10-19-15/h7,10,14,18H,3,6,8-9,11-12H2,1-2H3
InChIKeyIDPNYDUZCLSCCL-UHFFFAOYSA-N
XLogP1.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 79315416
1-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79389466
4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 63211102
3-[2-[(4-methylazepan-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 63623385
(2-ethylazepan-1-yl)-[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 104691234
3-[cyclobutyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]propan-1-ol
CID 102869757
3-[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 79315415
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
CID 79304453
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
CID 79313570
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63897685

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 79315137) is 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol is CN(Cc1sccc1C#CCO)CC1CCCN1C.
What is the InChIKey of 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is IDPNYDUZCLSCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-16(11-14-6-3-8-17(14)2)12-15-13(5-4-9-18)7-10-19-15/h7,10,14,18H,3,6,8-9,11-12H2,1-2H3.
What are the key properties of 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 278.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 79315137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).