N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide

C14H20N6O2S — CID 23607692

IUPACN,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H20N6O2S/c1-18(2)23(21,22)19-10-8-12(9-11-19)14-15-16-17-20(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyGYJALTGBHIYJCO-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.65
Rot. Bonds4

About N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide

N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide (PubChem CID 23607692) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide
PubChem CID23607692
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC NameN,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H20N6O2S/c1-18(2)23(21,22)19-10-8-12(9-11-19)14-15-16-17-20(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyGYJALTGBHIYJCO-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
CID 23607807
4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 70743543
N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
CID 110707722
(E)-3-[4-(5-cyclopropyltetrazol-1-yl)phenyl]prop-2-enoic acid
CID 113290743
N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide
CID 30680638
(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
CID 99987115
5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 51091387
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
(4aS,8aR)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide
CID 133134087
3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110261314
4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809660
1-(1-ethylsulfonylpiperidin-4-yl)-4-phenyltetrazol-5-one
CID 95798444

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide (CID 23607692) is N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide?
The InChIKey is GYJALTGBHIYJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-18(2)23(21,22)19-10-8-12(9-11-19)14-15-16-17-20(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide?
N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 23607692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).