2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide

C9H15N5O2S — CID 43417587

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCCCO
InChIInChI=1S/C9H15N5O2S/c15-5-1-4-10-8(16)6-17-9-11-12-13-14(9)7-2-3-7/h7,15H,1-6H2,(H,10,16)
InChIKeyUJQNHOZEKOYRRE-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.40
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide (PubChem CID 43417587) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
PubChem CID43417587
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCCCO
InChIInChI=1S/C9H15N5O2S/c15-5-1-4-10-8(16)6-17-9-11-12-13-14(9)7-2-3-7/h7,15H,1-6H2,(H,10,16)
InChIKeyUJQNHOZEKOYRRE-UHFFFAOYSA-N
XLogP-0.40
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-methylbutyl)acetamide
CID 27096193
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 51287399
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751551
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362685
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide
CID 43417624
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62516881
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 27096512

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide (CID 43417587) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide is O=C(CSc1nnnn1C1CC1)NCCCO.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is UJQNHOZEKOYRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c15-5-1-4-10-8(16)6-17-9-11-12-13-14(9)7-2-3-7/h7,15H,1-6H2,(H,10,16).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 257.32 g/mol, XLogP of -0.40, 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-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 43417587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).