N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine

C11H21NO2S — CID 115707658

IUPACN-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
SMILESCCC1CCCC1NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO2S/c1-2-9-4-3-5-11(9)12-10-6-7-15(13,14)8-10/h9-12H,2-8H2,1H3
InChIKeyAENDZJUMNRJSQJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.34
Rot. Bonds3

About N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine

N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine (PubChem CID 115707658) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
PubChem CID115707658
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
SMILESCCC1CCCC1NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO2S/c1-2-9-4-3-5-11(9)12-10-6-7-15(13,14)8-10/h9-12H,2-8H2,1H3
InChIKeyAENDZJUMNRJSQJ-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
CID 104866380
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol
CID 106359448
N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
CID 43757116
[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
CID 131041538
N-(3,3-dimethylcyclobutyl)-2-ethylcyclopentan-1-amine
CID 130685162
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
2-[(1,1-dioxothiolan-3-yl)amino]cycloheptane-1-carbonitrile
CID 62743497
3,4-diethylthiane 1,1-dioxide
CID 89014095
1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
CID 79545123
N-(2-ethylcyclohexyl)oxan-4-amine
CID 43709257

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine (CID 115707658) is N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine is CCC1CCCC1NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine?
The InChIKey is AENDZJUMNRJSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-2-9-4-3-5-11(9)12-10-6-7-15(13,14)8-10/h9-12H,2-8H2,1H3.
What are the key properties of N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine?
N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine has a molecular weight of 231.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 115707658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).