3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol

C13H21NOS — CID 67876769

IUPAC3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol
SMILESNC(CC(O)c1cccs1)C1CCCCC1
InChIInChI=1S/C13H21NOS/c14-11(10-5-2-1-3-6-10)9-12(15)13-7-4-8-16-13/h4,7-8,10-12,15H,1-3,5-6,9,14H2
InChIKeyCPVYCNNVXBUGBA-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.08
Rot. Bonds4

About 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol

3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 67876769) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol
PubChem CID67876769
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol
SMILESNC(CC(O)c1cccs1)C1CCCCC1
InChIInChI=1S/C13H21NOS/c14-11(10-5-2-1-3-6-10)9-12(15)13-7-4-8-16-13/h4,7-8,10-12,15H,1-3,5-6,9,14H2
InChIKeyCPVYCNNVXBUGBA-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(thiophen-2-yl)methanol
CID 43753540
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol
CID 114459269
1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine
CID 104755139
2-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
2-(thian-4-yl)-1-thiophen-2-ylethanol
CID 105079885
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
cyclopropyl(thiophen-2-yl)methanamine
CID 5015827

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol (CID 67876769) is 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol is NC(CC(O)c1cccs1)C1CCCCC1.
What is the InChIKey of 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is CPVYCNNVXBUGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c14-11(10-5-2-1-3-6-10)9-12(15)13-7-4-8-16-13/h4,7-8,10-12,15H,1-3,5-6,9,14H2.
What are the key properties of 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol?
3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 67876769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).