N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide

C11H18N6O2S — CID 24518533

IUPACN-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide
SMILESCCn1nnnc1SCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C11H18N6O2S/c1-3-17-11(13-14-15-17)20-7-10(19)16(2)6-9(18)12-8-4-5-8/h8H,3-7H2,1-2H3,(H,12,18)
InChIKeyWHAGBRUUFWTKFR-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.48
Rot. Bonds7

About N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide (PubChem CID 24518533) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide
PubChem CID24518533
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide
SMILESCCn1nnnc1SCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C11H18N6O2S/c1-3-17-11(13-14-15-17)20-7-10(19)16(2)6-9(18)12-8-4-5-8/h8H,3-7H2,1-2H3,(H,12,18)
InChIKeyWHAGBRUUFWTKFR-UHFFFAOYSA-N
XLogP-0.48
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide (CID 24518533) is N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide is CCn1nnnc1SCC(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide?
The InChIKey is WHAGBRUUFWTKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-3-17-11(13-14-15-17)20-7-10(19)16(2)6-9(18)12-8-4-5-8/h8H,3-7H2,1-2H3,(H,12,18).
What are the key properties of N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide has a molecular weight of 298.37 g/mol, XLogP of -0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide is sourced from PubChem (CID 24518533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).