[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol

C10H14BrNOS — CID 115246696

IUPAC[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol
SMILESOCC1(CNc2ccc(Br)s2)CCC1
InChIInChI=1S/C10H14BrNOS/c11-8-2-3-9(14-8)12-6-10(7-13)4-1-5-10/h2-3,12-13H,1,4-7H2
InChIKeyUYPIKECVGOEEAX-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.09
Rot. Bonds4

About [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol

[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 115246696) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol
PubChem CID115246696
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol
SMILESOCC1(CNc2ccc(Br)s2)CCC1
InChIInChI=1S/C10H14BrNOS/c11-8-2-3-9(14-8)12-6-10(7-13)4-1-5-10/h2-3,12-13H,1,4-7H2
InChIKeyUYPIKECVGOEEAX-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol with MolForge

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Related Compounds

[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106042522
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
3-[[(5-bromothiophen-2-yl)amino]methyl]oxetane-3-carboxylic acid
CID 115248278
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905
[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclobutyl]methanol
CID 131204109
[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 102837247
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol
CID 81419673
2-bromo-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114881316
[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104777217
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol (CID 115246696) is [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol is OCC1(CNc2ccc(Br)s2)CCC1.
What is the InChIKey of [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is UYPIKECVGOEEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-8-2-3-9(14-8)12-6-10(7-13)4-1-5-10/h2-3,12-13H,1,4-7H2.
What are the key properties of [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol?
[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 276.20 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).