1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol

C14H22BrNOS — CID 103159866

IUPAC1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol
SMILESCN(Cc1csc(Br)c1)CC(O)CC1CCCC1
InChIInChI=1S/C14H22BrNOS/c1-16(8-12-7-14(15)18-10-12)9-13(17)6-11-4-2-3-5-11/h7,10-11,13,17H,2-6,8-9H2,1H3
InChIKeyWNAAHTDPNWAZFL-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.88
Rot. Bonds6

About 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol

1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol (PubChem CID 103159866) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol
PubChem CID103159866
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol
SMILESCN(Cc1csc(Br)c1)CC(O)CC1CCCC1
InChIInChI=1S/C14H22BrNOS/c1-16(8-12-7-14(15)18-10-12)9-13(17)6-11-4-2-3-5-11/h7,10-11,13,17H,2-6,8-9H2,1H3
InChIKeyWNAAHTDPNWAZFL-UHFFFAOYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(5-Bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 55055426
2-[[(5-Bromothiophen-3-yl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094963
1-[(5-Bromothiophen-3-yl)methyl-methylamino]-4,4-dimethylpentan-3-ol
CID 55098623
[1-[(5-Bromothiophen-3-yl)methyl]piperidin-2-yl]methanol
CID 60966891
1-[[(5-Bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 61518808
1-[(5-Bromothiophen-3-yl)methyl-methylamino]butan-2-ol
CID 61567331
2-[(5-Bromothiophen-3-yl)methyl-methylamino]cyclopentan-1-ol
CID 61567367
2-[(5-Bromothiophen-3-yl)methyl-methylamino]cyclohexan-1-ol
CID 61567368
[1-[[(5-Bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methanol
CID 62265657
2-[[(5-Bromothiophen-3-yl)methyl-methylamino]methyl]-2-methylpentan-1-ol
CID 62265830
2-[1-[(5-Bromothiophen-3-yl)methyl]piperidin-3-yl]ethanol
CID 62358169
3-[1-[(5-Bromothiophen-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62469212

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol (CID 103159866) is 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol is CN(Cc1csc(Br)c1)CC(O)CC1CCCC1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol?
The InChIKey is WNAAHTDPNWAZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-16(8-12-7-14(15)18-10-12)9-13(17)6-11-4-2-3-5-11/h7,10-11,13,17H,2-6,8-9H2,1H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol?
1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol has a molecular weight of 332.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103159866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).