1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide

C20H30N6O3S — CID 3210437

IUPAC1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide
SMILESCCCCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H30N6O3S/c1-3-4-5-18(25-12-10-16(11-13-25)19(21)27)20-22-23-24-26(20)14-30(28,29)17-8-6-15(2)7-9-17/h6-9,16,18H,3-5,10-14H2,1-2H3,(H2,21,27)
InChIKeyQHPOCMSROQTZRM-UHFFFAOYSA-N
MW434.57 g/mol
LogP1.84
Rot. Bonds9

About 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide

1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide (PubChem CID 3210437) has the molecular formula C20H30N6O3S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide
PubChem CID3210437
Molecular FormulaC20H30N6O3S
Molecular Weight434.57 g/mol
Exact Mass434.21
IUPAC Name1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide
SMILESCCCCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H30N6O3S/c1-3-4-5-18(25-12-10-16(11-13-25)19(21)27)20-22-23-24-26(20)14-30(28,29)17-8-6-15(2)7-9-17/h6-9,16,18H,3-5,10-14H2,1-2H3,(H2,21,27)
InChIKeyQHPOCMSROQTZRM-UHFFFAOYSA-N
XLogP1.84
TPSA124.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1S)-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 1448806
1-[(R)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 6986215
1-[(S)-(4-fluorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986220
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622
1-[(1R)-3-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
CID 1448880
furan-2-yl-[4-[3-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 645825
1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
CID 23735152
4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine
CID 1431626
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210464
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 7391572
1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine
CID 1432366
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide (CID 3210437) is 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide is CCCCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide?
The InChIKey is QHPOCMSROQTZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3S/c1-3-4-5-18(25-12-10-16(11-13-25)19(21)27)20-22-23-24-26(20)14-30(28,29)17-8-6-15(2)7-9-17/h6-9,16,18H,3-5,10-14H2,1-2H3,(H2,21,27).
What are the key properties of 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide?
1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]pentyl]piperidine-4-carboxamide is sourced from PubChem (CID 3210437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).