N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride

C15H23ClN4O2S2 — CID 135569712

IUPACN-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCN(c1ccc(C2=NN/C(=N/C(C)(C)C)SC2)cc1)S(C)(=O)=O.Cl
InChIInChI=1S/C15H22N4O2S2.ClH/c1-15(2,3)16-14-18-17-13(10-22-14)11-6-8-12(9-7-11)19(4)23(5,20)21;/h6-9H,10H2,1-5H3,(H,16,18);1H
InChIKeyGGQXBDBZBUBNMN-UHFFFAOYSA-N
MW390.96 g/mol
LogP2.70
Rot. Bonds3

About N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride

N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride (PubChem CID 135569712) has the molecular formula C15H23ClN4O2S2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride
PubChem CID135569712
Molecular FormulaC15H23ClN4O2S2
Molecular Weight390.96 g/mol
Exact Mass390.10
IUPAC NameN-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCN(c1ccc(C2=NN/C(=N/C(C)(C)C)SC2)cc1)S(C)(=O)=O.Cl
InChIInChI=1S/C15H22N4O2S2.ClH/c1-15(2,3)16-14-18-17-13(10-22-14)11-6-8-12(9-7-11)19(4)23(5,20)21;/h6-9H,10H2,1-5H3,(H,16,18);1H
InChIKeyGGQXBDBZBUBNMN-UHFFFAOYSA-N
XLogP2.70
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride (CID 135569712) is N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride is CN(c1ccc(C2=NN/C(=N/C(C)(C)C)SC2)cc1)S(C)(=O)=O.Cl.
What is the InChIKey of N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is GGQXBDBZBUBNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2.ClH/c1-15(2,3)16-14-18-17-13(10-22-14)11-6-8-12(9-7-11)19(4)23(5,20)21;/h6-9H,10H2,1-5H3,(H,16,18);1H.
What are the key properties of N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride?
N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-tert-butylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 135569712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).