2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine

C13H17N5O3S — CID 49239732

IUPAC2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C(C)CO1
InChIInChI=1S/C13H17N5O3S/c1-10-8-21-11(2)7-18(10)22(19,20)13-5-3-12(4-6-13)17-9-14-15-16-17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyTWUGXEWSVDWEHF-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.46
Rot. Bonds3

About 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine

2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine (PubChem CID 49239732) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
PubChem CID49239732
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C(C)CO1
InChIInChI=1S/C13H17N5O3S/c1-10-8-21-11(2)7-18(10)22(19,20)13-5-3-12(4-6-13)17-9-14-15-16-17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyTWUGXEWSVDWEHF-UHFFFAOYSA-N
XLogP0.46
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 3173758
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
CID 51682945
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 110727700
[(2R)-2-methylpiperidin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 1456456
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367
(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 51943139
4-(4-chloro-3-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 43544676
3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 35406577
N-tert-butyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214812
(2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine
CID 97073134

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine (CID 49239732) is 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine is CC1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C(C)CO1.
What is the InChIKey of 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine?
The InChIKey is TWUGXEWSVDWEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-10-8-21-11(2)7-18(10)22(19,20)13-5-3-12(4-6-13)17-9-14-15-16-17/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine?
2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine has a molecular weight of 323.38 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 49239732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).