2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

C15H19N5O3S2 — CID 8005917

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCn1nnnc1SCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H19N5O3S2/c1-19-15(16-17-18-19)24-11-14(21)12-5-7-13(8-6-12)25(22,23)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3
InChIKeyICHKAGCVMSKQPN-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.36
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 8005917) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID8005917
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCn1nnnc1SCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H19N5O3S2/c1-19-15(16-17-18-19)24-11-14(21)12-5-7-13(8-6-12)25(22,23)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3
InChIKeyICHKAGCVMSKQPN-UHFFFAOYSA-N
XLogP1.36
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1140739
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 2485853
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4086709
1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethanone
CID 7876932
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4838513
3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55972416
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 2663266
3-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 2652076
2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 17436823
2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 4868863
1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 1147151
2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 42965374

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 8005917) is 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is Cn1nnnc1SCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is ICHKAGCVMSKQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-19-15(16-17-18-19)24-11-14(21)12-5-7-13(8-6-12)25(22,23)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 381.48 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 8005917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).