2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate

C6H17N3O5S2 — CID 91542409

IUPAC2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)NCCOS(=O)(=O)N(C)C
InChIInChI=1S/C6H17N3O5S2/c1-8(2)15(10,11)7-5-6-14-16(12,13)9(3)4/h7H,5-6H2,1-4H3
InChIKeyUXVUFAUVYLHMPU-UHFFFAOYSA-N
MW275.35 g/mol
LogP-1.79
Rot. Bonds7

About 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate

2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate (PubChem CID 91542409) has the molecular formula C6H17N3O5S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate
PubChem CID91542409
Molecular FormulaC6H17N3O5S2
Molecular Weight275.35 g/mol
Exact Mass275.06
IUPAC Name2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)NCCOS(=O)(=O)N(C)C
InChIInChI=1S/C6H17N3O5S2/c1-8(2)15(10,11)7-5-6-14-16(12,13)9(3)4/h7H,5-6H2,1-4H3
InChIKeyUXVUFAUVYLHMPU-UHFFFAOYSA-N
XLogP-1.79
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
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 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate?
The IUPAC name of 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate (CID 91542409) is 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate.
What is the SMILES notation for 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate?
The canonical SMILES for 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate is CN(C)S(=O)(=O)NCCOS(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate?
The InChIKey is UXVUFAUVYLHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O5S2/c1-8(2)15(10,11)7-5-6-14-16(12,13)9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate?
2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate has a molecular weight of 275.35 g/mol, XLogP of -1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)ethyl N,N-dimethylsulfamate is sourced from PubChem (CID 91542409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).