N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide

C9H18FN3O2S — CID 143680545

IUPACN-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide
SMILESN[C@@H](CF)CCNC(=O)N1CCS(=O)CC1
InChIInChI=1S/C9H18FN3O2S/c10-7-8(11)1-2-12-9(14)13-3-5-16(15)6-4-13/h8H,1-7,11H2,(H,12,14)/t8-/m1/s1
InChIKeyWGTKMZZNROLWQU-MRVPVSSYSA-N
MW251.33 g/mol
LogP-0.55
Rot. Bonds4

About N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide

N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 143680545) has the molecular formula C9H18FN3O2S and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID143680545
Molecular FormulaC9H18FN3O2S
Molecular Weight251.33 g/mol
Exact Mass251.11
IUPAC NameN-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide
SMILESN[C@@H](CF)CCNC(=O)N1CCS(=O)CC1
InChIInChI=1S/C9H18FN3O2S/c10-7-8(11)1-2-12-9(14)13-3-5-16(15)6-4-13/h8H,1-7,11H2,(H,12,14)/t8-/m1/s1
InChIKeyWGTKMZZNROLWQU-MRVPVSSYSA-N
XLogP-0.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide (CID 143680545) is N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide is N[C@@H](CF)CCNC(=O)N1CCS(=O)CC1.
What is the InChIKey of N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is WGTKMZZNROLWQU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18FN3O2S/c10-7-8(11)1-2-12-9(14)13-3-5-16(15)6-4-13/h8H,1-7,11H2,(H,12,14)/t8-/m1/s1.
What are the key properties of N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide?
N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 143680545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).