[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol

C10H13NOS — CID 170463735

IUPAC[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol
SMILESCNCCC#Cc1ccsc1CO
InChIInChI=1S/C10H13NOS/c1-11-6-3-2-4-9-5-7-13-10(9)8-12/h5,7,11-12H,3,6,8H2,1H3
InChIKeyRPEFFFLRZPUHIF-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.20
Rot. Bonds3

About [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol

[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol (PubChem CID 170463735) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol
PubChem CID170463735
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol
SMILESCNCCC#Cc1ccsc1CO
InChIInChI=1S/C10H13NOS/c1-11-6-3-2-4-9-5-7-13-10(9)8-12/h5,7,11-12H,3,6,8H2,1H3
InChIKeyRPEFFFLRZPUHIF-UHFFFAOYSA-N
XLogP1.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(methylamino)but-1-ynyl]phenol
CID 170463739
N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine
CID 170463696
[4-[4-(methylamino)but-1-ynyl]phenyl]methanol
CID 170463909
4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 114811971
2-[4-(methylamino)but-1-ynyl]-4-nitrophenol
CID 170464779
4-[4-(methylamino)but-1-ynyl]benzene-1,3-diol
CID 170463882
4-amino-2-[4-(methylamino)but-1-ynyl]phenol
CID 170464058
4-[4-(methylamino)but-1-ynyl]phenol
CID 170463741
2-[4-(methylamino)but-1-ynyl]benzenecarbothioamide
CID 170464293
4-(5-chloro-2-methylphenyl)-N-methylbut-3-yn-1-amine
CID 170463823
4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 170463916
4-[2-(aminomethyl)-5-fluorophenyl]-N-methylbut-3-yn-1-amine
CID 170464291

Frequently Asked Questions

What is the IUPAC name of [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol?
The IUPAC name of [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol (CID 170463735) is [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol.
What is the SMILES notation for [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol?
The canonical SMILES for [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol is CNCCC#Cc1ccsc1CO.
What is the InChIKey of [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol?
The InChIKey is RPEFFFLRZPUHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-11-6-3-2-4-9-5-7-13-10(9)8-12/h5,7,11-12H,3,6,8H2,1H3.
What are the key properties of [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol?
[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol has a molecular weight of 195.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol is sourced from PubChem (CID 170463735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).