[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol

C10H14ClNO2S — CID 116959472

IUPAC[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol
SMILESCNC(c1ccc(Cl)s1)C1(CO)COC1
InChIInChI=1S/C10H14ClNO2S/c1-12-9(7-2-3-8(11)15-7)10(4-13)5-14-6-10/h2-3,9,12-13H,4-6H2,1H3
InChIKeyVSERMMPAOJRZQL-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.67
Rot. Bonds4

About [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol

[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol (PubChem CID 116959472) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol
PubChem CID116959472
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol
SMILESCNC(c1ccc(Cl)s1)C1(CO)COC1
InChIInChI=1S/C10H14ClNO2S/c1-12-9(7-2-3-8(11)15-7)10(4-13)5-14-6-10/h2-3,9,12-13H,4-6H2,1H3
InChIKeyVSERMMPAOJRZQL-UHFFFAOYSA-N
XLogP1.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-chlorothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958259
1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958541
[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959457
[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959451
1-(5-chlorothiophen-2-yl)-1-(3,5-dimethyl-1-adamantyl)-N-methylmethanamine
CID 79999928
[(5-chlorothiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]hydrazine
CID 105328233
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142
[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116930330
(5-chlorothiophen-2-yl)-(methylamino)methanethiol
CID 116954482
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
(5-chlorothiophen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943525
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276892

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol (CID 116959472) is [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol is CNC(c1ccc(Cl)s1)C1(CO)COC1.
What is the InChIKey of [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is VSERMMPAOJRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-12-9(7-2-3-8(11)15-7)10(4-13)5-14-6-10/h2-3,9,12-13H,4-6H2,1H3.
What are the key properties of [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol?
[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 247.75 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116959472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).