N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine

C10H19N5O2S — CID 55108823

IUPACN-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H19N5O2S/c1-8(2)11-6-9-12-13-14-15(9)10(3)4-5-18(16,17)7-10/h8,11H,4-7H2,1-3H3
InChIKeyCGHWPQJIPMUBFM-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.30
Rot. Bonds4

About N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine

N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 55108823) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID55108823
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H19N5O2S/c1-8(2)11-6-9-12-13-14-15(9)10(3)4-5-18(16,17)7-10/h8,11H,4-7H2,1-3H3
InChIKeyCGHWPQJIPMUBFM-UHFFFAOYSA-N
XLogP-0.30
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine (CID 55108823) is N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1C1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is CGHWPQJIPMUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8(2)11-6-9-12-13-14-15(9)10(3)4-5-18(16,17)7-10/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 273.36 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55108823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).