[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol

C11H17NOS — CID 115763026

IUPAC[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol
SMILESCc1cc(CNC2(CO)CC2)c(C)s1
InChIInChI=1S/C11H17NOS/c1-8-5-10(9(2)14-8)6-12-11(7-13)3-4-11/h5,12-13H,3-4,6-7H2,1-2H3
InChIKeyYCHHLBRJENAZIL-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.98
Rot. Bonds4

About [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol

[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol (PubChem CID 115763026) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol
PubChem CID115763026
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol
SMILESCc1cc(CNC2(CO)CC2)c(C)s1
InChIInChI=1S/C11H17NOS/c1-8-5-10(9(2)14-8)6-12-11(7-13)3-4-11/h5,12-13H,3-4,6-7H2,1-2H3
InChIKeyYCHHLBRJENAZIL-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
CID 62521865
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 115697506
4-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106300321
[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopropyl]methanol
CID 102837729
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
CID 86815624
[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
CID 115763151
[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol
CID 102835457
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine
CID 78975145
[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
CID 62522547
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733266

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol (CID 115763026) is [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol is Cc1cc(CNC2(CO)CC2)c(C)s1.
What is the InChIKey of [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol?
The InChIKey is YCHHLBRJENAZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-5-10(9(2)14-8)6-12-11(7-13)3-4-11/h5,12-13H,3-4,6-7H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol?
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol has a molecular weight of 211.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115763026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).