N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide

C9H24N4O6S3 — CID 102047164

IUPACN-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(CCNS(C)(=O)=O)CCNS(C)(=O)=O
InChIInChI=1S/C9H24N4O6S3/c1-20(14,15)10-4-7-13(8-5-11-21(2,16)17)9-6-12-22(3,18)19/h10-12H,4-9H2,1-3H3
InChIKeyXKSIBIALTUPEPX-UHFFFAOYSA-N
MW380.51 g/mol
LogP-3.06
Rot. Bonds12

About N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide

N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide (PubChem CID 102047164) has the molecular formula C9H24N4O6S3 and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide
PubChem CID102047164
Molecular FormulaC9H24N4O6S3
Molecular Weight380.51 g/mol
Exact Mass380.09
IUPAC NameN-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(CCNS(C)(=O)=O)CCNS(C)(=O)=O
InChIInChI=1S/C9H24N4O6S3/c1-20(14,15)10-4-7-13(8-5-11-21(2,16)17)9-6-12-22(3,18)19/h10-12H,4-9H2,1-3H3
InChIKeyXKSIBIALTUPEPX-UHFFFAOYSA-N
XLogP-3.06
TPSA141.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 5-3.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide (CID 102047164) is N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCN(CCNS(C)(=O)=O)CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide?
The InChIKey is XKSIBIALTUPEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4O6S3/c1-20(14,15)10-4-7-13(8-5-11-21(2,16)17)9-6-12-22(3,18)19/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide?
N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide has a molecular weight of 380.51 g/mol, XLogP of -3.06, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-(methanesulfonamido)ethyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 102047164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).