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

C10H19N5OS — CID 3062261

IUPACN,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSCc1nnnn1C
InChIInChI=1S/C10H19N5OS/c1-4-15(5-2)10(16)6-7-17-8-9-11-12-13-14(9)3/h4-8H2,1-3H3
InChIKeyIROUFHSMZGTKRE-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.70
Rot. Bonds7

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

N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 3062261) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID3062261
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC NameN,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSCc1nnnn1C
InChIInChI=1S/C10H19N5OS/c1-4-15(5-2)10(16)6-7-17-8-9-11-12-13-14(9)3/h4-8H2,1-3H3
InChIKeyIROUFHSMZGTKRE-UHFFFAOYSA-N
XLogP0.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
1-methyl-5-[3-(N-ethyl-N-propionylamino)propylthio]-1,2,3,4-tetrazole
CID 12803384
N,N-diethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
CID 12818552
N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
CID 12818558
4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide
CID 12818575
N,N-diethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
CID 13203431
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide (CID 3062261) is N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide is CCN(CC)C(=O)CCSCc1nnnn1C.
What is the InChIKey of N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is IROUFHSMZGTKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-4-15(5-2)10(16)6-7-17-8-9-11-12-13-14(9)3/h4-8H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
N,N-diethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 257.36 g/mol, XLogP of 0.70, 7 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-methyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 3062261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).