N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide

C13H28N4O3S — CID 110811940

IUPACN-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCN(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C13H28N4O3S/c1-13(2,3)11-14-12(18)16-7-6-8-17(10-9-16)21(19,20)15(4)5/h6-11H2,1-5H3,(H,14,18)
InChIKeySGCUSAQZWOBOOK-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.56
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide

N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide (PubChem CID 110811940) has the molecular formula C13H28N4O3S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
PubChem CID110811940
Molecular FormulaC13H28N4O3S
Molecular Weight320.46 g/mol
Exact Mass320.19
IUPAC NameN-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCN(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C13H28N4O3S/c1-13(2,3)11-14-12(18)16-7-6-8-17(10-9-16)21(19,20)15(4)5/h6-11H2,1-5H3,(H,14,18)
InChIKeySGCUSAQZWOBOOK-UHFFFAOYSA-N
XLogP0.56
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 110749479
N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
CID 110811938
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110811075
methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
CID 110810861
N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
CID 115675126
4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide
CID 33384848
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
4-(3-chlorophenyl)sulfonyl-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110811211

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide (CID 110811940) is N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide is CN(C)S(=O)(=O)N1CCCN(C(=O)NCC(C)(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is SGCUSAQZWOBOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3S/c1-13(2,3)11-14-12(18)16-7-6-8-17(10-9-16)21(19,20)15(4)5/h6-11H2,1-5H3,(H,14,18).
What are the key properties of N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide?
N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110811940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).