N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine

C9H17NO2S — CID 43298589

IUPACN-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCC2CCC2)C1
InChIInChI=1S/C9H17NO2S/c11-13(12)5-4-9(7-13)10-6-8-2-1-3-8/h8-10H,1-7H2
InChIKeyQECJPUJCVLCHTB-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds3

About N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine

N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine (PubChem CID 43298589) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine
PubChem CID43298589
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCC2CCC2)C1
InChIInChI=1S/C9H17NO2S/c11-13(12)5-4-9(7-13)10-6-8-2-1-3-8/h8-10H,1-7H2
InChIKeyQECJPUJCVLCHTB-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine (CID 43298589) is N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCC2CCC2)C1.
What is the InChIKey of N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine?
The InChIKey is QECJPUJCVLCHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(12)5-4-9(7-13)10-6-8-2-1-3-8/h8-10H,1-7H2.
What are the key properties of N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine?
N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine has a molecular weight of 203.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43298589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).