1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol

C11H15Br2NOS — CID 102836123

IUPAC1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2cc(Br)c(Br)s2)CCCC1
InChIInChI=1S/C11H15Br2NOS/c12-9-5-8(16-10(9)13)6-14-7-11(15)3-1-2-4-11/h5,14-15H,1-4,6-7H2
InChIKeyKNXAMLGCILMBCV-UHFFFAOYSA-N
MW369.12 g/mol
LogP3.67
Rot. Bonds4

About 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol

1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 102836123) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID102836123
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC Name1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2cc(Br)c(Br)s2)CCCC1
InChIInChI=1S/C11H15Br2NOS/c12-9-5-8(16-10(9)13)6-14-7-11(15)3-1-2-4-11/h5,14-15H,1-4,6-7H2
InChIKeyKNXAMLGCILMBCV-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 102836156
[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 102836979
(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 99833176
1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 102836147
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 63931851
[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 102837247
1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 113393726
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
2-[(4,5-dibromothiophen-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 102837298
1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102837189

Frequently Asked Questions

What is the IUPAC name of 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol (CID 102836123) is 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol is OC1(CNCc2cc(Br)c(Br)s2)CCCC1.
What is the InChIKey of 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is KNXAMLGCILMBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c12-9-5-8(16-10(9)13)6-14-7-11(15)3-1-2-4-11/h5,14-15H,1-4,6-7H2.
What are the key properties of 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 369.12 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 102836123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).