4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide

C11H14N6OS — CID 13203384

IUPAC4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
SMILESCn1nnnc1SCCCC(=O)Nc1cccnc1
InChIInChI=1S/C11H14N6OS/c1-17-11(14-15-16-17)19-7-3-5-10(18)13-9-4-2-6-12-8-9/h2,4,6,8H,3,5,7H2,1H3,(H,13,18)
InChIKeyYLNRKZFRDOVIIZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.12
Rot. Bonds6

About 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide

4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide (PubChem CID 13203384) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
PubChem CID13203384
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
SMILESCn1nnnc1SCCCC(=O)Nc1cccnc1
InChIInChI=1S/C11H14N6OS/c1-17-11(14-15-16-17)19-7-3-5-10(18)13-9-4-2-6-12-8-9/h2,4,6,8H,3,5,7H2,1H3,(H,13,18)
InChIKeyYLNRKZFRDOVIIZ-UHFFFAOYSA-N
XLogP1.12
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.12
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

4-(1-methyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one
CID 13091625
4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
CID 126421662
methyl 4-(1-methyltetrazol-5-yl)sulfanylbutanoate
CID 13091621
6-(1-methyltetrazol-5-yl)sulfanylhexan-2-one
CID 43794005
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55964414
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
1-(4-hydroxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutan-1-one
CID 13091639
N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42173480
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91771033
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide (CID 13203384) is 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide is Cn1nnnc1SCCCC(=O)Nc1cccnc1.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide?
The InChIKey is YLNRKZFRDOVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-17-11(14-15-16-17)19-7-3-5-10(18)13-9-4-2-6-12-8-9/h2,4,6,8H,3,5,7H2,1H3,(H,13,18).
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide?
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide has a molecular weight of 278.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 13203384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).