2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide

C11H19N5O2S — CID 115884717

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCC(O)C(C)(C)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H19N5O2S/c1-7(17)11(2,3)12-9(18)6-19-10-13-14-15-16(10)8-4-5-8/h7-8,17H,4-6H2,1-3H3,(H,12,18)
InChIKeyWJTLPIDRGXELKQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.38
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide (PubChem CID 115884717) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
PubChem CID115884717
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCC(O)C(C)(C)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H19N5O2S/c1-7(17)11(2,3)12-9(18)6-19-10-13-14-15-16(10)8-4-5-8/h7-8,17H,4-6H2,1-3H3,(H,12,18)
InChIKeyWJTLPIDRGXELKQ-UHFFFAOYSA-N
XLogP0.38
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide (CID 115884717) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide is CC(O)C(C)(C)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide?
The InChIKey is WJTLPIDRGXELKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-7(17)11(2,3)12-9(18)6-19-10-13-14-15-16(10)8-4-5-8/h7-8,17H,4-6H2,1-3H3,(H,12,18).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115884717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).