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

C11H20N6O2S — CID 17441142

IUPAC2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1nnnn1C
InChIInChI=1S/C11H20N6O2S/c1-5-17(6-9(18)12-8(2)3)10(19)7-20-11-13-14-15-16(11)4/h8H,5-7H2,1-4H3,(H,12,18)
InChIKeyVMEKLYAMQMIJBZ-UHFFFAOYSA-N
MW300.39 g/mol
LogP-0.32
Rot. Bonds7

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

2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide (PubChem CID 17441142) has the molecular formula C11H20N6O2S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
PubChem CID17441142
Molecular FormulaC11H20N6O2S
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1nnnn1C
InChIInChI=1S/C11H20N6O2S/c1-5-17(6-9(18)12-8(2)3)10(19)7-20-11-13-14-15-16(11)4/h8H,5-7H2,1-4H3,(H,12,18)
InChIKeyVMEKLYAMQMIJBZ-UHFFFAOYSA-N
XLogP-0.32
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide (CID 17441142) is 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CSc1nnnn1C.
What is the InChIKey of 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is VMEKLYAMQMIJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2S/c1-5-17(6-9(18)12-8(2)3)10(19)7-20-11-13-14-15-16(11)4/h8H,5-7H2,1-4H3,(H,12,18).
What are the key properties of 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 300.39 g/mol, XLogP of -0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 17441142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).