(3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone

C11H19NOS — CID 110856030

IUPAC(3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone
SMILESCC1CCCN(C(=O)C2CCSC2)C1
InChIInChI=1S/C11H19NOS/c1-9-3-2-5-12(7-9)11(13)10-4-6-14-8-10/h9-10H,2-8H2,1H3
InChIKeyZGUAZSHNPNMHEO-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.00
Rot. Bonds1

About (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone

(3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone (PubChem CID 110856030) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone
PubChem CID110856030
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name(3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone
SMILESCC1CCCN(C(=O)C2CCSC2)C1
InChIInChI=1S/C11H19NOS/c1-9-3-2-5-12(7-9)11(13)10-4-6-14-8-10/h9-10H,2-8H2,1H3
InChIKeyZGUAZSHNPNMHEO-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone (CID 110856030) is (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone is CC1CCCN(C(=O)C2CCSC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone?
The InChIKey is ZGUAZSHNPNMHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-9-3-2-5-12(7-9)11(13)10-4-6-14-8-10/h9-10H,2-8H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone?
(3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone has a molecular weight of 213.35 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 110856030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).