N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide

C13H16N6OS — CID 66422837

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H16N6OS/c20-12(7-11-8-21-5-4-14-11)15-10-3-1-2-9(6-10)13-16-18-19-17-13/h1-3,6,11,14H,4-5,7-8H2,(H,15,20)(H,16,17,18,19)
InChIKeyWYTXRZKHQQNSSY-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.90
Rot. Bonds4

About N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422837) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422837
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H16N6OS/c20-12(7-11-8-21-5-4-14-11)15-10-3-1-2-9(6-10)13-16-18-19-17-13/h1-3,6,11,14H,4-5,7-8H2,(H,15,20)(H,16,17,18,19)
InChIKeyWYTXRZKHQQNSSY-UHFFFAOYSA-N
XLogP0.90
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941815
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936154
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940067
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
2-morpholin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 66427419
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
CID 119938258
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 166253071
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 66422837) is N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is WYTXRZKHQQNSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c20-12(7-11-8-21-5-4-14-11)15-10-3-1-2-9(6-10)13-16-18-19-17-13/h1-3,6,11,14H,4-5,7-8H2,(H,15,20)(H,16,17,18,19).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 304.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).