N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H25ClN2O3S2 — CID 119939122

IUPACN-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CSCCN2)c1.Cl
InChIInChI=1S/C16H24N2O3S2.ClH/c1-12(2)23(20,21)11-13-4-3-5-14(8-13)18-16(19)9-15-10-22-7-6-17-15;/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3,(H,18,19);1H
InChIKeyCAFOXDNNGKGYCK-UHFFFAOYSA-N
MW392.97 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939122) has the molecular formula C16H25ClN2O3S2 and a molecular weight of 392.97 g/mol. Its IUPAC name is N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939122
Molecular FormulaC16H25ClN2O3S2
Molecular Weight392.97 g/mol
Exact Mass392.10
IUPAC NameN-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CSCCN2)c1.Cl
InChIInChI=1S/C16H24N2O3S2.ClH/c1-12(2)23(20,21)11-13-4-3-5-14(8-13)18-16(19)9-15-10-22-7-6-17-15;/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3,(H,18,19);1H
InChIKeyCAFOXDNNGKGYCK-UHFFFAOYSA-N
XLogP2.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.97
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299
2-methyl-N-[3-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]phenyl]butanamide;hydrochloride
CID 119936533
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942534
2-methyl-N-[3-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]phenyl]butanamide
CID 119936534
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[3-[(3-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939106
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936766

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939122) is N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CSCCN2)c1.Cl.
What is the InChIKey of N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is CAFOXDNNGKGYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2.ClH/c1-12(2)23(20,21)11-13-4-3-5-14(8-13)18-16(19)9-15-10-22-7-6-17-15;/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 392.97 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).