(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C14H26N2OS — CID 114237027

IUPAC(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCSC1CCN(C(=O)C2(C(C)C)CCNC2)CC1
InChIInChI=1S/C14H26N2OS/c1-11(2)14(6-7-15-10-14)13(17)16-8-4-12(18-3)5-9-16/h11-12,15H,4-10H2,1-3H3
InChIKeyKZFGMWDBTLUKNZ-UHFFFAOYSA-N
MW270.44 g/mol
LogP1.98
Rot. Bonds3

About (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 114237027) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID114237027
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCSC1CCN(C(=O)C2(C(C)C)CCNC2)CC1
InChIInChI=1S/C14H26N2OS/c1-11(2)14(6-7-15-10-14)13(17)16-8-4-12(18-3)5-9-16/h11-12,15H,4-10H2,1-3H3
InChIKeyKZFGMWDBTLUKNZ-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 114237027) is (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CSC1CCN(C(=O)C2(C(C)C)CCNC2)CC1.
What is the InChIKey of (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is KZFGMWDBTLUKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11(2)14(6-7-15-10-14)13(17)16-8-4-12(18-3)5-9-16/h11-12,15H,4-10H2,1-3H3.
What are the key properties of (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 270.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114237027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).