(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide

C17H24N6O3S — CID 51956219

IUPAC(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(-n3cnnn3)c2)C1
InChIInChI=1S/C17H24N6O3S/c1-3-9-27(25,26)22-8-4-5-14(11-22)17(24)19-15-7-6-13(2)16(10-15)23-12-18-20-21-23/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,19,24)/t14-/m0/s1
InChIKeyWRRZLBQLSPYVGT-AWEZNQCLSA-N
MW392.49 g/mol
LogP1.36
Rot. Bonds6

About (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide

(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 51956219) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID51956219
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(-n3cnnn3)c2)C1
InChIInChI=1S/C17H24N6O3S/c1-3-9-27(25,26)22-8-4-5-14(11-22)17(24)19-15-7-6-13(2)16(10-15)23-12-18-20-21-23/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,19,24)/t14-/m0/s1
InChIKeyWRRZLBQLSPYVGT-AWEZNQCLSA-N
XLogP1.36
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3S)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide
CID 1445961
(2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 166203232
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 42959127
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 56507150
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55647241
1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea
CID 75397346
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
N-(2,5-dimethylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214827

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 51956219) is (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(-n3cnnn3)c2)C1.
What is the InChIKey of (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is WRRZLBQLSPYVGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-3-9-27(25,26)22-8-4-5-14(11-22)17(24)19-15-7-6-13(2)16(10-15)23-12-18-20-21-23/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,19,24)/t14-/m0/s1.
What are the key properties of (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51956219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).