2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide

C10H16N6O3S — CID 27096512

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H16N6O3S/c1-19-5-4-11-9(18)12-8(17)6-20-10-13-14-15-16(10)7-2-3-7/h7H,2-6H2,1H3,(H2,11,12,17,18)
InChIKeyKNNIQKIEZCWYFJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.43
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 27096512) has the molecular formula C10H16N6O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID27096512
Molecular FormulaC10H16N6O3S
Molecular Weight300.34 g/mol
Exact Mass300.10
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H16N6O3S/c1-19-5-4-11-9(18)12-8(17)6-20-10-13-14-15-16(10)7-2-3-7/h7H,2-6H2,1H3,(H2,11,12,17,18)
InChIKeyKNNIQKIEZCWYFJ-UHFFFAOYSA-N
XLogP-0.43
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid
CID 106107842
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38573156
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 16535874
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51244829
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 51245020
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide (CID 27096512) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is KNNIQKIEZCWYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3S/c1-19-5-4-11-9(18)12-8(17)6-20-10-13-14-15-16(10)7-2-3-7/h7H,2-6H2,1H3,(H2,11,12,17,18).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 300.34 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 27096512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).