N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine

C9H14N2O2S — CID 117192382

IUPACN-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESO=S1(=O)C=NC=C1CNC1CCCC1
InChIInChI=1S/C9H14N2O2S/c12-14(13)7-10-5-9(14)6-11-8-3-1-2-4-8/h5,7-8,11H,1-4,6H2
InChIKeyQADIXADADCKDJK-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.82
Rot. Bonds3

About N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine

N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine (PubChem CID 117192382) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine
PubChem CID117192382
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESO=S1(=O)C=NC=C1CNC1CCCC1
InChIInChI=1S/C9H14N2O2S/c12-14(13)7-10-5-9(14)6-11-8-3-1-2-4-8/h5,7-8,11H,1-4,6H2
InChIKeyQADIXADADCKDJK-UHFFFAOYSA-N
XLogP0.82
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine (CID 117192382) is N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine is O=S1(=O)C=NC=C1CNC1CCCC1.
What is the InChIKey of N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is QADIXADADCKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-14(13)7-10-5-9(14)6-11-8-3-1-2-4-8/h5,7-8,11H,1-4,6H2.
What are the key properties of N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine?
N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 214.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxo-1,3-thiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117192382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).