2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol

C14H23NOS — CID 82314428

IUPAC2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCC(NC1CCCCCC1)C(O)c1cccs1
InChIInChI=1S/C14H23NOS/c1-11(14(16)13-9-6-10-17-13)15-12-7-4-2-3-5-8-12/h6,9-12,14-16H,2-5,7-8H2,1H3
InChIKeyFAKPATLIEAIRHG-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.48
Rot. Bonds4

About 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol

2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol (PubChem CID 82314428) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
PubChem CID82314428
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCC(NC1CCCCCC1)C(O)c1cccs1
InChIInChI=1S/C14H23NOS/c1-11(14(16)13-9-6-10-17-13)15-12-7-4-2-3-5-8-12/h6,9-12,14-16H,2-5,7-8H2,1H3
InChIKeyFAKPATLIEAIRHG-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82314559
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N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol (CID 82314428) is 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol is CC(NC1CCCCCC1)C(O)c1cccs1.
What is the InChIKey of 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is FAKPATLIEAIRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(14(16)13-9-6-10-17-13)15-12-7-4-2-3-5-8-12/h6,9-12,14-16H,2-5,7-8H2,1H3.
What are the key properties of 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol?
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82314428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).