2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide

C11H21N5OS — CID 3212938

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide
SMILESCCCCn1nnnc1SCC(=O)N(CC)CC
InChIInChI=1S/C11H21N5OS/c1-4-7-8-16-11(12-13-14-16)18-9-10(17)15(5-2)6-3/h4-9H2,1-3H3
InChIKeyIYBQTHQWNKZZBJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.43
Rot. Bonds8

About 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide

2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 3212938) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide
PubChem CID3212938
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide
SMILESCCCCn1nnnc1SCC(=O)N(CC)CC
InChIInChI=1S/C11H21N5OS/c1-4-7-8-16-11(12-13-14-16)18-9-10(17)15(5-2)6-3/h4-9H2,1-3H3
InChIKeyIYBQTHQWNKZZBJ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1383741
2-(1-Methyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
CID 864616
N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2338857
N,N-Dicyclohexyl-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 645796
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N,N-diisopropyl-acetamide
CID 653196
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 3212940
1-Piperidin-1-yl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452245
1-(2,6-Dimethyl-piperidin-1-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 3212929
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 3228975
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 1452225
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 3212942
2-[1-(3-Methoxy-propyl)-1H-tetrazol-5-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 3212980

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide (CID 3212938) is 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide is CCCCn1nnnc1SCC(=O)N(CC)CC.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is IYBQTHQWNKZZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-4-7-8-16-11(12-13-14-16)18-9-10(17)15(5-2)6-3/h4-9H2,1-3H3.
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide?
2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 271.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 3212938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).