[1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol

C17H24N2OS — CID 111468879

IUPAC[1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1cccn1Cc1cccs1
InChIInChI=1S/C17H24N2OS/c1-17(13-20)8-2-7-16(17)18-11-14-5-3-9-19(14)12-15-6-4-10-21-15/h3-6,9-10,16,18,20H,2,7-8,11-13H2,1H3
InChIKeyDWWIVIWQVAGFRU-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.24
Rot. Bonds6

About [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol

[1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol (PubChem CID 111468879) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol
PubChem CID111468879
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name[1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1cccn1Cc1cccs1
InChIInChI=1S/C17H24N2OS/c1-17(13-20)8-2-7-16(17)18-11-14-5-3-9-19(14)12-15-6-4-10-21-15/h3-6,9-10,16,18,20H,2,7-8,11-13H2,1H3
InChIKeyDWWIVIWQVAGFRU-UHFFFAOYSA-N
XLogP3.24
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739
2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
CID 111436535
[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol
CID 115655341
1-[3-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]propyl]piperidin-4-ol
CID 111436549
[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
CID 111468945
1-(4-methylphenyl)-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
CID 111436544
[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol
CID 111468790
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]methanamine
CID 129000660
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
3-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]-N-methylanilino]propanenitrile
CID 111468795

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol?
The IUPAC name of [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol (CID 111468879) is [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol is CC1(CO)CCCC1NCc1cccn1Cc1cccs1.
What is the InChIKey of [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol?
The InChIKey is DWWIVIWQVAGFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-17(13-20)8-2-7-16(17)18-11-14-5-3-9-19(14)12-15-6-4-10-21-15/h3-6,9-10,16,18,20H,2,7-8,11-13H2,1H3.
What are the key properties of [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol?
[1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol has a molecular weight of 304.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]cyclopentyl]methanol is sourced from PubChem (CID 111468879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).