N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide

C17H25N3O3S — CID 56751740

IUPACN-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
SMILESN[C@@H]1CC[C@@H](NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)C1
InChIInChI=1S/C17H25N3O3S/c18-15-5-6-16(11-15)19-17(21)14-3-1-13(2-4-14)12-20-7-9-24(22,23)10-8-20/h1-4,15-16H,5-12,18H2,(H,19,21)/t15-,16-/m1/s1
InChIKeyJLCFSKBKIBIJHD-HZPDHXFCSA-N
MW351.47 g/mol
LogP0.53
Rot. Bonds4

About N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide

N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide (PubChem CID 56751740) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
PubChem CID56751740
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
SMILESN[C@@H]1CC[C@@H](NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)C1
InChIInChI=1S/C17H25N3O3S/c18-15-5-6-16(11-15)19-17(21)14-3-1-13(2-4-14)12-20-7-9-24(22,23)10-8-20/h1-4,15-16H,5-12,18H2,(H,19,21)/t15-,16-/m1/s1
InChIKeyJLCFSKBKIBIJHD-HZPDHXFCSA-N
XLogP0.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide with MolForge

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Related Compounds

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N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride
CID 154888710
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CID 70845852
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide (CID 56751740) is N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide is N[C@@H]1CC[C@@H](NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The InChIKey is JLCFSKBKIBIJHD-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25N3O3S/c18-15-5-6-16(11-15)19-17(21)14-3-1-13(2-4-14)12-20-7-9-24(22,23)10-8-20/h1-4,15-16H,5-12,18H2,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide has a molecular weight of 351.47 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide is sourced from PubChem (CID 56751740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).