N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide

C11H15N5O2S — CID 3062254

IUPACN-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCn1nnnc1SCCCC(=O)NCc1ccco1
InChIInChI=1S/C11H15N5O2S/c1-16-11(13-14-15-16)19-7-3-5-10(17)12-8-9-4-2-6-18-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,17)
InChIKeyIZQBIHAPLPPWQA-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.99
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide

N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 3062254) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
PubChem CID3062254
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCn1nnnc1SCCCC(=O)NCc1ccco1
InChIInChI=1S/C11H15N5O2S/c1-16-11(13-14-15-16)19-7-3-5-10(17)12-8-9-4-2-6-18-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,17)
InChIKeyIZQBIHAPLPPWQA-UHFFFAOYSA-N
XLogP0.99
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (CID 3062254) is N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is Cn1nnnc1SCCCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is IZQBIHAPLPPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-16-11(13-14-15-16)19-7-3-5-10(17)12-8-9-4-2-6-18-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,17).
What are the key properties of N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 281.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 3062254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).