2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol

C11H16ClNOS — CID 102676588

IUPAC2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C11H16ClNOS/c12-11-5-4-10(15-11)8-13(6-7-14)9-2-1-3-9/h4-5,9,14H,1-3,6-8H2
InChIKeyBEZSQMSBHOCTLC-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.75
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol

2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol (PubChem CID 102676588) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol
PubChem CID102676588
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C11H16ClNOS/c12-11-5-4-10(15-11)8-13(6-7-14)9-2-1-3-9/h4-5,9,14H,1-3,6-8H2
InChIKeyBEZSQMSBHOCTLC-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102860560
2-[(5-chlorothiophen-2-yl)methyl-cyclopentylamino]acetic acid
CID 60834283
1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864555
1-(5-chlorothiophen-2-yl)-2-[cyclopentyl(2-hydroxyethyl)amino]ethanone
CID 62037060
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol
CID 80609190
2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol
CID 79771274
2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol
CID 60692382
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
CID 65478154
2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
CID 102680065
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557593
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol (CID 102676588) is 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol is OCCN(Cc1ccc(Cl)s1)C1CCC1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol?
The InChIKey is BEZSQMSBHOCTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c12-11-5-4-10(15-11)8-13(6-7-14)9-2-1-3-9/h4-5,9,14H,1-3,6-8H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol?
2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol has a molecular weight of 245.77 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102676588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).