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

C8H15N5O2S — CID 62761339

IUPACN-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C8H15N5O2S/c1-8(3-4-16(14,15)6-8)13-7(5-9-2)10-11-12-13/h9H,3-6H2,1-2H3
InChIKeyXRZUKMXVGPINIO-UHFFFAOYSA-N
MW245.31 g/mol
LogP-1.07
Rot. Bonds3

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

N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine (PubChem CID 62761339) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine
PubChem CID62761339
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC NameN-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C8H15N5O2S/c1-8(3-4-16(14,15)6-8)13-7(5-9-2)10-11-12-13/h9H,3-6H2,1-2H3
InChIKeyXRZUKMXVGPINIO-UHFFFAOYSA-N
XLogP-1.07
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine (CID 62761339) is N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine is CNCc1nnnn1C1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine?
The InChIKey is XRZUKMXVGPINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-8(3-4-16(14,15)6-8)13-7(5-9-2)10-11-12-13/h9H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine?
N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine has a molecular weight of 245.31 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62761339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).