N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine

C12H24N2O3S — CID 102968388

IUPACN-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCOC1CCCN(CCNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-17-12-3-2-6-14(9-12)7-5-13-11-4-8-18(15,16)10-11/h11-13H,2-10H2,1H3
InChIKeyJFPCLCKGCPHQRX-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.13
Rot. Bonds5

About N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine

N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 102968388) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID102968388
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCOC1CCCN(CCNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-17-12-3-2-6-14(9-12)7-5-13-11-4-8-18(15,16)10-11/h11-13H,2-10H2,1H3
InChIKeyJFPCLCKGCPHQRX-UHFFFAOYSA-N
XLogP-0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 107395631
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 79925293
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 55089467
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62560596
1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
CID 62574345
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
CID 102963685
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine
CID 106872015
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870840
N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]cyclohexanamine
CID 113240998

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 102968388) is N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine is COC1CCCN(CCNC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is JFPCLCKGCPHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-17-12-3-2-6-14(9-12)7-5-13-11-4-8-18(15,16)10-11/h11-13H,2-10H2,1H3.
What are the key properties of N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 276.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 102968388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).