N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine

C8H12N2O2S — CID 117186801

IUPACN-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine
SMILESO=S1(=O)C=CN=C1CNC1CCC1
InChIInChI=1S/C8H12N2O2S/c11-13(12)5-4-9-8(13)6-10-7-2-1-3-7/h4-5,7,10H,1-3,6H2
InChIKeyWBMNKYGNNVOONL-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.43
Rot. Bonds3

About N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine

N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine (PubChem CID 117186801) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine
PubChem CID117186801
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine
SMILESO=S1(=O)C=CN=C1CNC1CCC1
InChIInChI=1S/C8H12N2O2S/c11-13(12)5-4-9-8(13)6-10-7-2-1-3-7/h4-5,7,10H,1-3,6H2
InChIKeyWBMNKYGNNVOONL-UHFFFAOYSA-N
XLogP0.43
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.43
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-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine (CID 117186801) is N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine is O=S1(=O)C=CN=C1CNC1CCC1.
What is the InChIKey of N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine?
The InChIKey is WBMNKYGNNVOONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-13(12)5-4-9-8(13)6-10-7-2-1-3-7/h4-5,7,10H,1-3,6H2.
What are the key properties of N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine?
N-[(1,1-dioxo-1,3-thiazol-2-yl)methyl]cyclobutanamine has a molecular weight of 200.26 g/mol, XLogP of 0.43, 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-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117186801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).