N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide

C10H19N5OS — CID 3070083

IUPACN-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide
SMILESCCNC(=O)CCCSCc1nnnn1CC
InChIInChI=1S/C10H19N5OS/c1-3-11-10(16)6-5-7-17-8-9-12-13-14-15(9)4-2/h3-8H2,1-2H3,(H,11,16)
InChIKeyWWUFYMKTLBBINN-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.84
Rot. Bonds8

About N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide

N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide (PubChem CID 3070083) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide.

Molecular Properties

Compound NameN-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide
PubChem CID3070083
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC NameN-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide
SMILESCCNC(=O)CCCSCc1nnnn1CC
InChIInChI=1S/C10H19N5OS/c1-3-11-10(16)6-5-7-17-8-9-12-13-14-15(9)4-2/h3-8H2,1-2H3,(H,11,16)
InChIKeyWWUFYMKTLBBINN-UHFFFAOYSA-N
XLogP0.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide?
The IUPAC name of N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide (CID 3070083) is N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide.
What is the SMILES notation for N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide?
The canonical SMILES for N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide is CCNC(=O)CCCSCc1nnnn1CC.
What is the InChIKey of N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide?
The InChIKey is WWUFYMKTLBBINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-3-11-10(16)6-5-7-17-8-9-12-13-14-15(9)4-2/h3-8H2,1-2H3,(H,11,16).
What are the key properties of N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide?
N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide has a molecular weight of 257.36 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-ethyltetrazol-5-yl)methylsulfanyl]butanamide is sourced from PubChem (CID 3070083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).