4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

C19H28N2O4S — CID 110310139

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C19H28N2O4S/c22-15-19(10-2-1-3-11-19)14-20-18(23)16-6-8-17(9-7-16)21-12-4-5-13-26(21,24)25/h6-9,22H,1-5,10-15H2,(H,20,23)
InChIKeyRWKQFLSONKJVLT-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.29
Rot. Bonds5

About 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 110310139) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID110310139
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C19H28N2O4S/c22-15-19(10-2-1-3-11-19)14-20-18(23)16-6-8-17(9-7-16)21-12-4-5-13-26(21,24)25/h6-9,22H,1-5,10-15H2,(H,20,23)
InChIKeyRWKQFLSONKJVLT-UHFFFAOYSA-N
XLogP2.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110310247
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 55658448
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829578
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 91954353
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 110310139) is 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CO)CCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is RWKQFLSONKJVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c22-15-19(10-2-1-3-11-19)14-20-18(23)16-6-8-17(9-7-16)21-12-4-5-13-26(21,24)25/h6-9,22H,1-5,10-15H2,(H,20,23).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 110310139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).