N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine

C13H21N5O2S2 — CID 154770223

IUPACN-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine
SMILESCCS(=O)(=O)CC(C)N(C)c1nnnn1CCc1cccs1
InChIInChI=1S/C13H21N5O2S2/c1-4-22(19,20)10-11(2)17(3)13-14-15-16-18(13)8-7-12-6-5-9-21-12/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyAIOGDHOQMLKZBX-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.24
Rot. Bonds8

About N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine

N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine (PubChem CID 154770223) has the molecular formula C13H21N5O2S2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine
PubChem CID154770223
Molecular FormulaC13H21N5O2S2
Molecular Weight343.48 g/mol
Exact Mass343.11
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine
SMILESCCS(=O)(=O)CC(C)N(C)c1nnnn1CCc1cccs1
InChIInChI=1S/C13H21N5O2S2/c1-4-22(19,20)10-11(2)17(3)13-14-15-16-18(13)8-7-12-6-5-9-21-12/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyAIOGDHOQMLKZBX-UHFFFAOYSA-N
XLogP1.24
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-thiophen-2-ylethyl)tetrazol-5-amine
CID 79506694
2-methylpropyl 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylate
CID 103112964
5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid
CID 63775016
1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 40798767
1-[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 17437207
4-methyl-2-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-one
CID 86797131
3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 94500022
5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-(2-thiophen-2-ylethyl)tetrazole
CID 24574259
1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 42886752
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
CID 24665793
4-(1-bromoethyl)-1-(2-thiophen-2-ylethyl)triazole
CID 81449258
1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
CID 17394088

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine (CID 154770223) is N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine is CCS(=O)(=O)CC(C)N(C)c1nnnn1CCc1cccs1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine?
The InChIKey is AIOGDHOQMLKZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S2/c1-4-22(19,20)10-11(2)17(3)13-14-15-16-18(13)8-7-12-6-5-9-21-12/h5-6,9,11H,4,7-8,10H2,1-3H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine?
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine has a molecular weight of 343.48 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1-(2-thiophen-2-ylethyl)tetrazol-5-amine is sourced from PubChem (CID 154770223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).