N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide

C13H26N4O2S — CID 62062479

IUPACN-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C13H26N4O2S/c1-6-13(5,10-14)17(8-3)20(18,19)12-9-16(7-2)11(4)15-12/h9H,6-8,10,14H2,1-5H3
InChIKeyCDKZKMYJNXNKPA-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.35
Rot. Bonds7

About N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide

N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide (PubChem CID 62062479) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
PubChem CID62062479
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C13H26N4O2S/c1-6-13(5,10-14)17(8-3)20(18,19)12-9-16(7-2)11(4)15-12/h9H,6-8,10,14H2,1-5H3
InChIKeyCDKZKMYJNXNKPA-UHFFFAOYSA-N
XLogP1.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide (CID 62062479) is N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide is CCN(C(C)(CC)CN)S(=O)(=O)c1cn(CC)c(C)n1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is CDKZKMYJNXNKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-6-13(5,10-14)17(8-3)20(18,19)12-9-16(7-2)11(4)15-12/h9H,6-8,10,14H2,1-5H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62062479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).