2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide

C11H18N6O2S — CID 17392091

IUPAC2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H18N6O2S/c1-7(2)13-9(18)5-12-10(19)6-20-11-14-15-16-17(11)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,19)(H,13,18)
InChIKeySNWVETJIPAXWGO-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.26
Rot. Bonds7

About 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide (PubChem CID 17392091) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
PubChem CID17392091
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H18N6O2S/c1-7(2)13-9(18)5-12-10(19)6-20-11-14-15-16-17(11)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,19)(H,13,18)
InChIKeySNWVETJIPAXWGO-UHFFFAOYSA-N
XLogP-0.26
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide (CID 17392091) is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is SNWVETJIPAXWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-7(2)13-9(18)5-12-10(19)6-20-11-14-15-16-17(11)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,19)(H,13,18).
What are the key properties of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide?
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 298.37 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 17392091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).