2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide

C15H25N5O2S — CID 51287399

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCCCOCC1CC1
InChIInChI=1S/C15H25N5O2S/c21-14(16-8-3-9-22-10-12-6-7-12)11-23-15-17-18-19-20(15)13-4-1-2-5-13/h12-13H,1-11H2,(H,16,21)
InChIKeyCGALOUKKRWCDAE-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.81
Rot. Bonds10

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide (PubChem CID 51287399) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
PubChem CID51287399
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCCCOCC1CC1
InChIInChI=1S/C15H25N5O2S/c21-14(16-8-3-9-22-10-12-6-7-12)11-23-15-17-18-19-20(15)13-4-1-2-5-13/h12-13H,1-11H2,(H,16,21)
InChIKeyCGALOUKKRWCDAE-UHFFFAOYSA-N
XLogP1.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
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-hydroxypropyl)acetamide
CID 43417587
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38573156
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51244829
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094172
N-[3-(cyclopropylmethoxy)propyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55410137
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3228988
methyl 4-[[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate
CID 27094020
N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 47037001
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide (CID 51287399) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide is O=C(CSc1nnnn1C1CCCC1)NCCCOCC1CC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The InChIKey is CGALOUKKRWCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c21-14(16-8-3-9-22-10-12-6-7-12)11-23-15-17-18-19-20(15)13-4-1-2-5-13/h12-13H,1-11H2,(H,16,21).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide has a molecular weight of 339.47 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide is sourced from PubChem (CID 51287399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).