N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine

C14H28N2O2S — CID 43679715

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCN1CCCC(C(C)NC2(C)CCS(=O)(=O)C2)C1
InChIInChI=1S/C14H28N2O2S/c1-4-16-8-5-6-13(10-16)12(2)15-14(3)7-9-19(17,18)11-14/h12-13,15H,4-11H2,1-3H3
InChIKeySFINHQVNSGACNQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds4

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43679715) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43679715
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCN1CCCC(C(C)NC2(C)CCS(=O)(=O)C2)C1
InChIInChI=1S/C14H28N2O2S/c1-4-16-8-5-6-13(10-16)12(2)15-14(3)7-9-19(17,18)11-14/h12-13,15H,4-11H2,1-3H3
InChIKeySFINHQVNSGACNQ-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 43679715) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine is CCN1CCCC(C(C)NC2(C)CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is SFINHQVNSGACNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-4-16-8-5-6-13(10-16)12(2)15-14(3)7-9-19(17,18)11-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 288.46 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).