N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide

C12H22N2OS — CID 116654225

IUPACN,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(C)C2CCSC2)C1
InChIInChI=1S/C12H22N2OS/c1-10-4-3-6-14(8-10)12(15)13(2)11-5-7-16-9-11/h10-11H,3-9H2,1-2H3
InChIKeyONFTVMTVMUCJCZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.28
Rot. Bonds1

About N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide

N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide (PubChem CID 116654225) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide
PubChem CID116654225
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(C)C2CCSC2)C1
InChIInChI=1S/C12H22N2OS/c1-10-4-3-6-14(8-10)12(15)13(2)11-5-7-16-9-11/h10-11H,3-9H2,1-2H3
InChIKeyONFTVMTVMUCJCZ-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide?
The IUPAC name of N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide (CID 116654225) is N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide is CC1CCCN(C(=O)N(C)C2CCSC2)C1.
What is the InChIKey of N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide?
The InChIKey is ONFTVMTVMUCJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-4-3-6-14(8-10)12(15)13(2)11-5-7-16-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide?
N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 116654225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).