2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C15H20N6O3S2 — CID 3919132

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H20N6O3S2/c1-20-15(17-18-19-20)25-11-14(22)16-12-6-5-7-13(10-12)26(23,24)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,22)
InChIKeyDNHORBKCLDXBGA-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.12
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3919132) has the molecular formula C15H20N6O3S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3919132
Molecular FormulaC15H20N6O3S2
Molecular Weight396.50 g/mol
Exact Mass396.10
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H20N6O3S2/c1-20-15(17-18-19-20)25-11-14(22)16-12-6-5-7-13(10-12)26(23,24)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,22)
InChIKeyDNHORBKCLDXBGA-UHFFFAOYSA-N
XLogP1.12
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 652811
N-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 654320
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3451317
2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 3946151
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4107072
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4145244
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4348659
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4399897
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4878909
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide
CID 4965092
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4965392

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 3919132) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is Cn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is DNHORBKCLDXBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S2/c1-20-15(17-18-19-20)25-11-14(22)16-12-6-5-7-13(10-12)26(23,24)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,22).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 396.50 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3919132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).