N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide

C16H21N3O6S — CID 157014555

IUPACN-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)CC2)C[C@H]1O)c1cc[nH]c(=O)c1
InChIInChI=1S/C16H21N3O6S/c20-13-8-11(16(23)19-3-5-26(24,25)6-4-19)7-12(13)18-15(22)10-1-2-17-14(21)9-10/h1-2,9,11-13,20H,3-8H2,(H,17,21)(H,18,22)/t11-,12+,13+/m0/s1
InChIKeyRUQVWFYUKSHCKO-YNEHKIRRSA-N
MW383.43 g/mol
LogP-1.50
Rot. Bonds3

About N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 157014555) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID157014555
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC NameN-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)CC2)C[C@H]1O)c1cc[nH]c(=O)c1
InChIInChI=1S/C16H21N3O6S/c20-13-8-11(16(23)19-3-5-26(24,25)6-4-19)7-12(13)18-15(22)10-1-2-17-14(21)9-10/h1-2,9,11-13,20H,3-8H2,(H,17,21)(H,18,22)/t11-,12+,13+/m0/s1
InChIKeyRUQVWFYUKSHCKO-YNEHKIRRSA-N
XLogP-1.50
TPSA136.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide (CID 157014555) is N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide is O=C(N[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)CC2)C[C@H]1O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is RUQVWFYUKSHCKO-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H21N3O6S/c20-13-8-11(16(23)19-3-5-26(24,25)6-4-19)7-12(13)18-15(22)10-1-2-17-14(21)9-10/h1-2,9,11-13,20H,3-8H2,(H,17,21)(H,18,22)/t11-,12+,13+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 383.43 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 157014555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).