[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol

C8H13NOS — CID 55292824

IUPAC[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol
SMILESCC[C@@H](N)c1csc(CO)c1
InChIInChI=1S/C8H13NOS/c1-2-8(9)6-3-7(4-10)11-5-6/h3,5,8,10H,2,4,9H2,1H3/t8-/m1/s1
InChIKeyHFBSMYXLTRTVFP-MRVPVSSYSA-N
MW171.26 g/mol
LogP1.65
Rot. Bonds3

About [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol

[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol (PubChem CID 55292824) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol
PubChem CID55292824
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol
SMILESCC[C@@H](N)c1csc(CO)c1
InChIInChI=1S/C8H13NOS/c1-2-8(9)6-3-7(4-10)11-5-6/h3,5,8,10H,2,4,9H2,1H3/t8-/m1/s1
InChIKeyHFBSMYXLTRTVFP-MRVPVSSYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminopropyl]thiophen-2-ol
CID 130970107
1-(5-iodothiophen-3-yl)propan-1-amine
CID 114980142
1-(5-fluorothiophen-3-yl)propan-1-amine
CID 130000553
(1R)-1-(5-methoxythiophen-3-yl)propan-1-amine
CID 130642103
[4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol
CID 135367823
(4-ethylthiophen-2-yl)methanol
CID 23261287
2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid
CID 170823414
4-chloro-1-[5-(hydroxymethyl)thiophen-3-yl]butane-1,2-diol
CID 171893230
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937230
[5-(1-aminopropyl)-2-fluorophenyl]methanol
CID 55283310

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol?
The IUPAC name of [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol (CID 55292824) is [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol is CC[C@@H](N)c1csc(CO)c1.
What is the InChIKey of [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol?
The InChIKey is HFBSMYXLTRTVFP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-8(9)6-3-7(4-10)11-5-6/h3,5,8,10H,2,4,9H2,1H3/t8-/m1/s1.
What are the key properties of [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol?
[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol has a molecular weight of 171.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol is sourced from PubChem (CID 55292824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).