1-propyl-4-thiophen-2-ylazepan-4-ol

C13H21NOS — CID 65077712

IUPAC1-propyl-4-thiophen-2-ylazepan-4-ol
SMILESCCCN1CCCC(O)(c2cccs2)CC1
InChIInChI=1S/C13H21NOS/c1-2-8-14-9-4-6-13(15,7-10-14)12-5-3-11-16-12/h3,5,11,15H,2,4,6-10H2,1H3
InChIKeySHNWOKHSQIAPDA-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.83
Rot. Bonds3

About 1-propyl-4-thiophen-2-ylazepan-4-ol

1-propyl-4-thiophen-2-ylazepan-4-ol (PubChem CID 65077712) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-propyl-4-thiophen-2-ylazepan-4-ol.

Molecular Properties

Compound Name1-propyl-4-thiophen-2-ylazepan-4-ol
PubChem CID65077712
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-propyl-4-thiophen-2-ylazepan-4-ol
SMILESCCCN1CCCC(O)(c2cccs2)CC1
InChIInChI=1S/C13H21NOS/c1-2-8-14-9-4-6-13(15,7-10-14)12-5-3-11-16-12/h3,5,11,15H,2,4,6-10H2,1H3
InChIKeySHNWOKHSQIAPDA-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-thiophen-2-ylazepan-4-ol?
The IUPAC name of 1-propyl-4-thiophen-2-ylazepan-4-ol (CID 65077712) is 1-propyl-4-thiophen-2-ylazepan-4-ol.
What is the SMILES notation for 1-propyl-4-thiophen-2-ylazepan-4-ol?
The canonical SMILES for 1-propyl-4-thiophen-2-ylazepan-4-ol is CCCN1CCCC(O)(c2cccs2)CC1.
What is the InChIKey of 1-propyl-4-thiophen-2-ylazepan-4-ol?
The InChIKey is SHNWOKHSQIAPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-8-14-9-4-6-13(15,7-10-14)12-5-3-11-16-12/h3,5,11,15H,2,4,6-10H2,1H3.
What are the key properties of 1-propyl-4-thiophen-2-ylazepan-4-ol?
1-propyl-4-thiophen-2-ylazepan-4-ol has a molecular weight of 239.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-thiophen-2-ylazepan-4-ol is sourced from PubChem (CID 65077712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).