1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C12H21N5O3S — CID 90590151

IUPAC1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C12H21N5O3S/c1-10(2)8-21(19,20)11-3-5-16(6-4-11)12(18)7-17-9-13-14-15-17/h9-11H,3-8H2,1-2H3
InChIKeyLGTAWLSQHYAXMS-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.27
Rot. Bonds5

About 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 90590151) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID90590151
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C12H21N5O3S/c1-10(2)8-21(19,20)11-3-5-16(6-4-11)12(18)7-17-9-13-14-15-17/h9-11H,3-8H2,1-2H3
InChIKeyLGTAWLSQHYAXMS-UHFFFAOYSA-N
XLogP-0.27
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-Ethylsulfonylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 49600250
1-(3-(cyclohexylsulfonyl)azetidin-1-yl)-2-(1H-tetrazol-1-yl)ethanone
CID 71809334
1-(2-Propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone
CID 71993606
2-Propylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72143017
2-Propylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143024
2-Ethylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143025
2-Propan-2-ylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143029
2-(2-Methylpropylsulfonyl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143046
2-Cyclopentylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143048
3-(2-Methylpropylsulfonyl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72143049
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72145738
2-Propan-2-ylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72145756

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 90590151) is 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is CC(C)CS(=O)(=O)C1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is LGTAWLSQHYAXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-10(2)8-21(19,20)11-3-5-16(6-4-11)12(18)7-17-9-13-14-15-17/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 315.40 g/mol, XLogP of -0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 90590151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).