[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol

C14H17NOS — CID 79479191

IUPAC[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2csc3ccccc23)CC1
InChIInChI=1S/C14H17NOS/c16-10-14(5-6-14)9-15-7-11-8-17-13-4-2-1-3-12(11)13/h1-4,8,15-16H,5-7,9-10H2
InChIKeyWEALWZULCKLMFN-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.76
Rot. Bonds5

About [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol

[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol (PubChem CID 79479191) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
PubChem CID79479191
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2csc3ccccc23)CC1
InChIInChI=1S/C14H17NOS/c16-10-14(5-6-14)9-15-7-11-8-17-13-4-2-1-3-12(11)13/h1-4,8,15-16H,5-7,9-10H2
InChIKeyWEALWZULCKLMFN-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802264
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230036
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214140
N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576
N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
4-[(1-benzothiophen-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79529921
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024029
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292

Frequently Asked Questions

What is the IUPAC name of [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol (CID 79479191) is [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol is OCC1(CNCc2csc3ccccc23)CC1.
What is the InChIKey of [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol?
The InChIKey is WEALWZULCKLMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-10-14(5-6-14)9-15-7-11-8-17-13-4-2-1-3-12(11)13/h1-4,8,15-16H,5-7,9-10H2.
What are the key properties of [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol?
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol has a molecular weight of 247.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 79479191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).