2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide

C9H15N5OS — CID 17425758

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H15N5OS/c1-6(2)10-8(15)5-16-9-11-12-13-14(9)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,15)
InChIKeyIWKAULABIIWISZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.62
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 17425758) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID17425758
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H15N5OS/c1-6(2)10-8(15)5-16-9-11-12-13-14(9)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,15)
InChIKeyIWKAULABIIWISZ-UHFFFAOYSA-N
XLogP0.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide (CID 17425758) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is IWKAULABIIWISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-6(2)10-8(15)5-16-9-11-12-13-14(9)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,15).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 241.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 17425758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).