N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide

C6H9Cl2N5O2S — CID 62870440

IUPACN-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H9Cl2N5O2S/c1-16(14,15)10-3-2-9-6-12-4(7)11-5(8)13-6/h10H,2-3H2,1H3,(H,9,11,12,13)
InChIKeyIZHDENZHASXBJF-UHFFFAOYSA-N
MW286.14 g/mol
LogP0.14
Rot. Bonds5

About N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 62870440) has the molecular formula C6H9Cl2N5O2S and a molecular weight of 286.14 g/mol. Its IUPAC name is N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
PubChem CID62870440
Molecular FormulaC6H9Cl2N5O2S
Molecular Weight286.14 g/mol
Exact Mass284.99
IUPAC NameN-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H9Cl2N5O2S/c1-16(14,15)10-3-2-9-6-12-4(7)11-5(8)13-6/h10H,2-3H2,1H3,(H,9,11,12,13)
InChIKeyIZHDENZHASXBJF-UHFFFAOYSA-N
XLogP0.14
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80775196
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 176734873
N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80787221
N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
CID 113410956
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 60726247
5-[[4,6-bis[2-(methanesulfonamido)ethylamino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylic acid
CID 90253652
N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide
CID 79507906
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62869585

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide (CID 62870440) is N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is IZHDENZHASXBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2N5O2S/c1-16(14,15)10-3-2-9-6-12-4(7)11-5(8)13-6/h10H,2-3H2,1H3,(H,9,11,12,13).
What are the key properties of N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 286.14 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 62870440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).