2-[2-(propylamino)cycloheptyl]sulfanylethanol

C12H25NOS — CID 64613151

IUPAC2-[2-(propylamino)cycloheptyl]sulfanylethanol
SMILESCCCNC1CCCCCC1SCCO
InChIInChI=1S/C12H25NOS/c1-2-8-13-11-6-4-3-5-7-12(11)15-10-9-14/h11-14H,2-10H2,1H3
InChIKeyWAIBVWYIWVWCNM-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-(propylamino)cycloheptyl]sulfanylethanol

2-[2-(propylamino)cycloheptyl]sulfanylethanol (PubChem CID 64613151) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-[2-(propylamino)cycloheptyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(propylamino)cycloheptyl]sulfanylethanol
PubChem CID64613151
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-[2-(propylamino)cycloheptyl]sulfanylethanol
SMILESCCCNC1CCCCCC1SCCO
InChIInChI=1S/C12H25NOS/c1-2-8-13-11-6-4-3-5-7-12(11)15-10-9-14/h11-14H,2-10H2,1H3
InChIKeyWAIBVWYIWVWCNM-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 140481092
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CID 5259824
CID 5259824
CID 61055559
CID 61055559
CID 61685019
CID 61685019
CID 61686540
CID 61686540
CID 62478909
CID 62478909
CID 62576186
CID 62576186
CID 62578867
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CID 63855611
CID 63855611

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)cycloheptyl]sulfanylethanol?
The IUPAC name of 2-[2-(propylamino)cycloheptyl]sulfanylethanol (CID 64613151) is 2-[2-(propylamino)cycloheptyl]sulfanylethanol.
What is the SMILES notation for 2-[2-(propylamino)cycloheptyl]sulfanylethanol?
The canonical SMILES for 2-[2-(propylamino)cycloheptyl]sulfanylethanol is CCCNC1CCCCCC1SCCO.
What is the InChIKey of 2-[2-(propylamino)cycloheptyl]sulfanylethanol?
The InChIKey is WAIBVWYIWVWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-2-8-13-11-6-4-3-5-7-12(11)15-10-9-14/h11-14H,2-10H2,1H3.
What are the key properties of 2-[2-(propylamino)cycloheptyl]sulfanylethanol?
2-[2-(propylamino)cycloheptyl]sulfanylethanol has a molecular weight of 231.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)cycloheptyl]sulfanylethanol is sourced from PubChem (CID 64613151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).