1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine

C14H26N2O2S — CID 79545123

IUPAC1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCCC2C2CCCCN2)C1
InChIInChI=1S/C14H26N2O2S/c17-19(18)9-7-11(10-19)16-14-6-3-4-12(14)13-5-1-2-8-15-13/h11-16H,1-10H2
InChIKeyBAZQKYJOHQRPDJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.07
Rot. Bonds3

About 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine

1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine (PubChem CID 79545123) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
PubChem CID79545123
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCCC2C2CCCCN2)C1
InChIInChI=1S/C14H26N2O2S/c17-19(18)9-7-11(10-19)16-14-6-3-4-12(14)13-5-1-2-8-15-13/h11-16H,1-10H2
InChIKeyBAZQKYJOHQRPDJ-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine
CID 79541542
3-[(2-piperidin-2-ylcyclohexyl)amino]cyclobutan-1-ol
CID 79552583
N-(2-methylcyclopropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544805
2-methyl-N-(2-piperidin-2-ylcyclopentyl)cyclopentan-1-amine
CID 79545248
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
CID 43757116
2-methyl-N-(2-piperidin-2-ylcyclohexyl)cyclohexan-1-amine
CID 79553482
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
[2-[(2-piperidin-2-ylcyclopentyl)amino]cyclohexyl]methanol
CID 106359616
N-(3-methylcyclopentyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114543913
1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine
CID 128748620
N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 81039559

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine (CID 79545123) is 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine is O=S1(=O)CCC(NC2CCCC2C2CCCCN2)C1.
What is the InChIKey of 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine?
The InChIKey is BAZQKYJOHQRPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18)9-7-11(10-19)16-14-6-3-4-12(14)13-5-1-2-8-15-13/h11-16H,1-10H2.
What are the key properties of 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine?
1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine has a molecular weight of 286.44 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine is sourced from PubChem (CID 79545123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).