2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide

C13H23N5O2S — CID 103843319

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
SMILESCCC(CC)(CO)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C13H23N5O2S/c1-3-13(4-2,9-19)8-14-11(20)7-21-12-15-16-17-18(12)10-5-6-10/h10,19H,3-9H2,1-2H3,(H,14,20)
InChIKeyUOMZKTKZXZCNEM-UHFFFAOYSA-N
MW313.43 g/mol
LogP1.01
Rot. Bonds9

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide (PubChem CID 103843319) 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-[2-ethyl-2-(hydroxymethyl)butyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
PubChem CID103843319
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
SMILESCCC(CC)(CO)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C13H23N5O2S/c1-3-13(4-2,9-19)8-14-11(20)7-21-12-15-16-17-18(12)10-5-6-10/h10,19H,3-9H2,1-2H3,(H,14,20)
InChIKeyUOMZKTKZXZCNEM-UHFFFAOYSA-N
XLogP1.01
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
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-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide (CID 103843319) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide is CCC(CC)(CO)CNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The InChIKey is UOMZKTKZXZCNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-3-13(4-2,9-19)8-14-11(20)7-21-12-15-16-17-18(12)10-5-6-10/h10,19H,3-9H2,1-2H3,(H,14,20).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide has a molecular weight of 313.43 g/mol, XLogP of 1.01, 9 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-[2-ethyl-2-(hydroxymethyl)butyl]acetamide is sourced from PubChem (CID 103843319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).