N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide

C17H25N3O3S2 — CID 119934970

IUPACN-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25N3O3S2/c21-17(12-15-13-24-10-7-18-15)19-14-5-4-6-16(11-14)25(22,23)20-8-2-1-3-9-20/h4-6,11,15,18H,1-3,7-10,12-13H2,(H,19,21)
InChIKeyRDNJPRDIIXCZCI-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.89
Rot. Bonds5

About N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide

N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119934970) has the molecular formula C17H25N3O3S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119934970
Molecular FormulaC17H25N3O3S2
Molecular Weight383.54 g/mol
Exact Mass383.13
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25N3O3S2/c21-17(12-15-13-24-10-7-18-15)19-14-5-4-6-16(11-14)25(22,23)20-8-2-1-3-9-20/h4-6,11,15,18H,1-3,7-10,12-13H2,(H,19,21)
InChIKeyRDNJPRDIIXCZCI-UHFFFAOYSA-N
XLogP1.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 119672233
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940096
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935630
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119938215
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide (CID 119934970) is N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is RDNJPRDIIXCZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S2/c21-17(12-15-13-24-10-7-18-15)19-14-5-4-6-16(11-14)25(22,23)20-8-2-1-3-9-20/h4-6,11,15,18H,1-3,7-10,12-13H2,(H,19,21).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide?
N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 383.54 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119934970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).