N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C11H13N5OS2 — CID 32711286

IUPACN-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1Cc1cccs1)NC1CC1
InChIInChI=1S/C11H13N5OS2/c17-10(12-8-3-4-8)7-19-11-13-14-15-16(11)6-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2,(H,12,17)
InChIKeyCJYWMXLPNJKIJN-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.15
Rot. Bonds6

About N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 32711286) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID32711286
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC NameN-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1Cc1cccs1)NC1CC1
InChIInChI=1S/C11H13N5OS2/c17-10(12-8-3-4-8)7-19-11-13-14-15-16(11)6-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2,(H,12,17)
InChIKeyCJYWMXLPNJKIJN-UHFFFAOYSA-N
XLogP1.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 32711286) is N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1Cc1cccs1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is CJYWMXLPNJKIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c17-10(12-8-3-4-8)7-19-11-13-14-15-16(11)6-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2,(H,12,17).
What are the key properties of N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 295.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 32711286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).