N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide

C14H30N4O4S2 — CID 167795826

IUPACN-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCCN(C)S(=O)(=O)NCC1CC12CCN(S(=O)(=O)N(C)CC)CC2
InChIInChI=1S/C14H30N4O4S2/c1-5-16(3)23(19,20)15-12-13-11-14(13)7-9-18(10-8-14)24(21,22)17(4)6-2/h13,15H,5-12H2,1-4H3
InChIKeyHJMRCUCFNMQHHO-UHFFFAOYSA-N
MW382.55 g/mol
LogP0.07
Rot. Bonds8

About N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide

N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 167795826) has the molecular formula C14H30N4O4S2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID167795826
Molecular FormulaC14H30N4O4S2
Molecular Weight382.55 g/mol
Exact Mass382.17
IUPAC NameN-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCCN(C)S(=O)(=O)NCC1CC12CCN(S(=O)(=O)N(C)CC)CC2
InChIInChI=1S/C14H30N4O4S2/c1-5-16(3)23(19,20)15-12-13-11-14(13)7-9-18(10-8-14)24(21,22)17(4)6-2/h13,15H,5-12H2,1-4H3
InChIKeyHJMRCUCFNMQHHO-UHFFFAOYSA-N
XLogP0.07
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide (CID 167795826) is N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide is CCN(C)S(=O)(=O)NCC1CC12CCN(S(=O)(=O)N(C)CC)CC2.
What is the InChIKey of N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is HJMRCUCFNMQHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O4S2/c1-5-16(3)23(19,20)15-12-13-11-14(13)7-9-18(10-8-14)24(21,22)17(4)6-2/h13,15H,5-12H2,1-4H3.
What are the key properties of N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide?
N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 382.55 g/mol, XLogP of 0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[[ethyl(methyl)sulfamoyl]amino]methyl]-N-methyl-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 167795826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).