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

C11H21N5OS — CID 13203431

IUPACN,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSCc1nnnn1CC
InChIInChI=1S/C11H21N5OS/c1-4-15(5-2)11(17)7-8-18-9-10-12-13-14-16(10)6-3/h4-9H2,1-3H3
InChIKeyNFCHFKGELRESCE-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.18
Rot. Bonds8

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

N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 13203431) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID13203431
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC NameN,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSCc1nnnn1CC
InChIInChI=1S/C11H21N5OS/c1-4-15(5-2)11(17)7-8-18-9-10-12-13-14-16(10)6-3/h4-9H2,1-3H3
InChIKeyNFCHFKGELRESCE-UHFFFAOYSA-N
XLogP1.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propanamide, N,N-diethyl-3-(((1-methyl-1H-tetrazol-5-yl)methyl)thio)-
CID 3062261
Propanamide, 3-(((1-ethyl-1H-tetrazol-5-yl)methyl)thio)-
CID 3070081
Butanamide, N-ethyl-4-(((1-ethyl-1H-tetrazol-5-yl)methyl)thio)-
CID 3070083
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N,N-diethyl-acetamide
CID 3212938
1-methyl-5-[3-(N-ethyl-N-propionylamino)propylthio]-1,2,3,4-tetrazole
CID 12803384
N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
CID 13203432
N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
CID 13208271
N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
CID 13208272
N-ethyl-3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanamide
CID 13208273
3-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethylpropanamide
CID 13208274
3-[(1-butyltetrazol-5-yl)methylsulfanyl]-N,N-diethylpropanamide
CID 13208277
3-[(1-ethyltetrazol-5-yl)methylsulfanyl]-N-methylpropanamide
CID 13208279

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide (CID 13203431) is N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide is CCN(CC)C(=O)CCSCc1nnnn1CC.
What is the InChIKey of N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is NFCHFKGELRESCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-4-15(5-2)11(17)7-8-18-9-10-12-13-14-16(10)6-3/h4-9H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 271.39 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 13203431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).