N-cyclopropyl-1,1-dioxothiolan-3-amine

C7H13NO2S — CID 4962275

IUPACN-cyclopropyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CC2)C1
InChIInChI=1S/C7H13NO2S/c9-11(10)4-3-7(5-11)8-6-1-2-6/h6-8H,1-5H2
InChIKeyYPQGVNVOARBNNY-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.07
Rot. Bonds2

About N-cyclopropyl-1,1-dioxothiolan-3-amine

N-cyclopropyl-1,1-dioxothiolan-3-amine (PubChem CID 4962275) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-cyclopropyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1,1-dioxothiolan-3-amine
PubChem CID4962275
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-cyclopropyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CC2)C1
InChIInChI=1S/C7H13NO2S/c9-11(10)4-3-7(5-11)8-6-1-2-6/h6-8H,1-5H2
InChIKeyYPQGVNVOARBNNY-UHFFFAOYSA-N
XLogP-0.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-cyclopropyl-1,1-dioxothiolan-3-amine (CID 4962275) is N-cyclopropyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-cyclopropyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-cyclopropyl-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1,1-dioxothiolan-3-amine?
The InChIKey is YPQGVNVOARBNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10)4-3-7(5-11)8-6-1-2-6/h6-8H,1-5H2.
What are the key properties of N-cyclopropyl-1,1-dioxothiolan-3-amine?
N-cyclopropyl-1,1-dioxothiolan-3-amine has a molecular weight of 175.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 4962275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).