2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide

C17H26N2O3S2 — CID 49005209

IUPAC2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C17H26N2O3S2/c1-13(2)24(21,22)14(3)17(20)18-16-6-4-5-15(11-16)12-19-7-9-23-10-8-19/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,18,20)
InChIKeyGGEGEIRZRQJTFL-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.39
Rot. Bonds6

About 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide

2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 49005209) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
PubChem CID49005209
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC Name2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C17H26N2O3S2/c1-13(2)24(21,22)14(3)17(20)18-16-6-4-5-15(11-16)12-19-7-9-23-10-8-19/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,18,20)
InChIKeyGGEGEIRZRQJTFL-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(thiomorpholin-4-ylmethyl)phenyl]ethanesulfonamide
CID 86803114
2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 166221496
N-[3-methyl-1-oxo-1-[3-(thiomorpholin-4-ylmethyl)anilino]butan-2-yl]furan-2-carboxamide
CID 49005878
1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 47086715
2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869757
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide
CID 49005460
(2S,3S)-2-amino-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 61178548
N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60544871
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide (CID 49005209) is 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide is CC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(CN2CCSCC2)c1.
What is the InChIKey of 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is GGEGEIRZRQJTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-13(2)24(21,22)14(3)17(20)18-16-6-4-5-15(11-16)12-19-7-9-23-10-8-19/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,18,20).
What are the key properties of 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 370.54 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 49005209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).