N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine

C9H15N5O2S — CID 55109439

IUPACN-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESO=S1(=O)CCC(n2nnnc2CNC2CC2)C1
InChIInChI=1S/C9H15N5O2S/c15-17(16)4-3-8(6-17)14-9(11-12-13-14)5-10-7-1-2-7/h7-8,10H,1-6H2
InChIKeyORWOXGSUDWKENU-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.72
Rot. Bonds4

About N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 55109439) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID55109439
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC NameN-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESO=S1(=O)CCC(n2nnnc2CNC2CC2)C1
InChIInChI=1S/C9H15N5O2S/c15-17(16)4-3-8(6-17)14-9(11-12-13-14)5-10-7-1-2-7/h7-8,10H,1-6H2
InChIKeyORWOXGSUDWKENU-UHFFFAOYSA-N
XLogP-0.72
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine (CID 55109439) is N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine is O=S1(=O)CCC(n2nnnc2CNC2CC2)C1.
What is the InChIKey of N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is ORWOXGSUDWKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c15-17(16)4-3-8(6-17)14-9(11-12-13-14)5-10-7-1-2-7/h7-8,10H,1-6H2.
What are the key properties of N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 257.32 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55109439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).