N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide

C9H17N5OS — CID 13208272

IUPACN-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCNC(=O)CCSCc1nnnn1CC
InChIInChI=1S/C9H17N5OS/c1-3-10-9(15)5-6-16-7-8-11-12-13-14(8)4-2/h3-7H2,1-2H3,(H,10,15)
InChIKeyLFMSKFQUVNEJIB-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.45
Rot. Bonds7

About N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide

N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 13208272) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID13208272
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC NameN-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCNC(=O)CCSCc1nnnn1CC
InChIInChI=1S/C9H17N5OS/c1-3-10-9(15)5-6-16-7-8-11-12-13-14(8)4-2/h3-7H2,1-2H3,(H,10,15)
InChIKeyLFMSKFQUVNEJIB-UHFFFAOYSA-N
XLogP0.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.45
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-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide (CID 13208272) is N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide is CCNC(=O)CCSCc1nnnn1CC.
What is the InChIKey of N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is LFMSKFQUVNEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-3-10-9(15)5-6-16-7-8-11-12-13-14(8)4-2/h3-7H2,1-2H3,(H,10,15).
What are the key properties of N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 243.34 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 13208272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).