1-propyl-N-(thian-4-yl)piperidin-4-amine

C13H26N2S — CID 43394921

IUPAC1-propyl-N-(thian-4-yl)piperidin-4-amine
SMILESCCCN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-7-15-8-3-12(4-9-15)14-13-5-10-16-11-6-13/h12-14H,2-11H2,1H3
InChIKeyQCTTWWIRDOOYDB-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.35
Rot. Bonds4

About 1-propyl-N-(thian-4-yl)piperidin-4-amine

1-propyl-N-(thian-4-yl)piperidin-4-amine (PubChem CID 43394921) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-propyl-N-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-(thian-4-yl)piperidin-4-amine
PubChem CID43394921
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-propyl-N-(thian-4-yl)piperidin-4-amine
SMILESCCCN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-7-15-8-3-12(4-9-15)14-13-5-10-16-11-6-13/h12-14H,2-11H2,1H3
InChIKeyQCTTWWIRDOOYDB-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 1-propyl-N-(thian-4-yl)piperidin-4-amine (CID 43394921) is 1-propyl-N-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 1-propyl-N-(thian-4-yl)piperidin-4-amine is CCCN1CCC(NC2CCSCC2)CC1.
What is the InChIKey of 1-propyl-N-(thian-4-yl)piperidin-4-amine?
The InChIKey is QCTTWWIRDOOYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-7-15-8-3-12(4-9-15)14-13-5-10-16-11-6-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-propyl-N-(thian-4-yl)piperidin-4-amine?
1-propyl-N-(thian-4-yl)piperidin-4-amine has a molecular weight of 242.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 43394921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).