2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol

C16H25NOS — CID 45213635

IUPAC2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccs1)CC1CC12CCCCC2
InChIInChI=1S/C16H25NOS/c18-9-8-17(13-15-5-4-10-19-15)12-14-11-16(14)6-2-1-3-7-16/h4-5,10,14,18H,1-3,6-9,11-13H2
InChIKeyCEBDPERFGXPCCQ-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.51
Rot. Bonds6

About 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol

2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol (PubChem CID 45213635) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol
PubChem CID45213635
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccs1)CC1CC12CCCCC2
InChIInChI=1S/C16H25NOS/c18-9-8-17(13-15-5-4-10-19-15)12-14-11-16(14)6-2-1-3-7-16/h4-5,10,14,18H,1-3,6-9,11-13H2
InChIKeyCEBDPERFGXPCCQ-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[cyclohexyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 60694185
1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
CID 79074938
2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol
CID 134702822
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
CID 43818907
1-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64679712
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613694
1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide
CID 111969892

Frequently Asked Questions

What is the IUPAC name of 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol (CID 45213635) is 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol is OCCN(Cc1cccs1)CC1CC12CCCCC2.
What is the InChIKey of 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol?
The InChIKey is CEBDPERFGXPCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c18-9-8-17(13-15-5-4-10-19-15)12-14-11-16(14)6-2-1-3-7-16/h4-5,10,14,18H,1-3,6-9,11-13H2.
What are the key properties of 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol?
2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol has a molecular weight of 279.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 45213635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).