2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

C13H23N5O2S — CID 103941140

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C13H23N5O2S/c1-13(2,3)10(6-7-19)14-11(20)8-21-12-15-16-17-18(12)9-4-5-9/h9-10,19H,4-8H2,1-3H3,(H,14,20)
InChIKeyJFRFYKIMTQFOFY-UHFFFAOYSA-N
MW313.43 g/mol
LogP1.01
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (PubChem CID 103941140) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
PubChem CID103941140
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C13H23N5O2S/c1-13(2,3)10(6-7-19)14-11(20)8-21-12-15-16-17-18(12)9-4-5-9/h9-10,19H,4-8H2,1-3H3,(H,14,20)
InChIKeyJFRFYKIMTQFOFY-UHFFFAOYSA-N
XLogP1.01
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.01
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-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (CID 103941140) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is CC(C)(C)C(CCO)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The InChIKey is JFRFYKIMTQFOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-13(2,3)10(6-7-19)14-11(20)8-21-12-15-16-17-18(12)9-4-5-9/h9-10,19H,4-8H2,1-3H3,(H,14,20).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide has a molecular weight of 313.43 g/mol, XLogP of 1.01, 7 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-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 103941140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).