N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide

C7H19N3O6S3 — CID 141436059

IUPACN-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C7H19N3O6S3/c1-17(11,12)8-4-6-10(19(3,15)16)7-5-9-18(2,13)14/h8-9H,4-7H2,1-3H3
InChIKeyFCJRJZLHESJHLS-UHFFFAOYSA-N
MW337.45 g/mol
LogP-2.65
Rot. Bonds9

About N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide

N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide (PubChem CID 141436059) has the molecular formula C7H19N3O6S3 and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
PubChem CID141436059
Molecular FormulaC7H19N3O6S3
Molecular Weight337.45 g/mol
Exact Mass337.04
IUPAC NameN-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C7H19N3O6S3/c1-17(11,12)8-4-6-10(19(3,15)16)7-5-9-18(2,13)14/h8-9H,4-7H2,1-3H3
InChIKeyFCJRJZLHESJHLS-UHFFFAOYSA-N
XLogP-2.65
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 5-2.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 113065281
N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide
CID 113066365
2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
CID 139970862
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
N-[2-[2-methoxyethyl(methyl)amino]ethyl]methanesulfonamide
CID 63714040
N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide
CID 43546052
N-(2-aminoethyl)methanesulfonamide
CID 158725113
N-(2-hydroxyethyl)methanesulfonamide
CID 11389425
N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056623

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide (CID 141436059) is N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCN(CCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide?
The InChIKey is FCJRJZLHESJHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O6S3/c1-17(11,12)8-4-6-10(19(3,15)16)7-5-9-18(2,13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide?
N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of -2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 141436059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).