N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide

C8H17N3O2S2 — CID 106339556

IUPACN-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1=NCCCS1
InChIInChI=1S/C8H17N3O2S2/c1-15(12,13)11-6-2-4-9-8-10-5-3-7-14-8/h11H,2-7H2,1H3,(H,9,10)
InChIKeyREKREDRPCSCTQX-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.01
Rot. Bonds5

About N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide

N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide (PubChem CID 106339556) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide
PubChem CID106339556
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC NameN-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1=NCCCS1
InChIInChI=1S/C8H17N3O2S2/c1-15(12,13)11-6-2-4-9-8-10-5-3-7-14-8/h11H,2-7H2,1H3,(H,9,10)
InChIKeyREKREDRPCSCTQX-UHFFFAOYSA-N
XLogP0.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide (CID 106339556) is N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNC1=NCCCS1.
What is the InChIKey of N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide?
The InChIKey is REKREDRPCSCTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-15(12,13)11-6-2-4-9-8-10-5-3-7-14-8/h11H,2-7H2,1H3,(H,9,10).
What are the key properties of N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide?
N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide has a molecular weight of 251.38 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106339556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).