N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide

C12H26N4O3S — CID 110811938

IUPACN-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H26N4O3S/c1-12(2,3)13-11(17)15-7-6-8-16(10-9-15)20(18,19)14(4)5/h6-10H2,1-5H3,(H,13,17)
InChIKeyZHXDLSVMOYBJDR-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.31
Rot. Bonds2

About N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide

N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide (PubChem CID 110811938) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
PubChem CID110811938
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC NameN-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H26N4O3S/c1-12(2,3)13-11(17)15-7-6-8-16(10-9-15)20(18,19)14(4)5/h6-10H2,1-5H3,(H,13,17)
InChIKeyZHXDLSVMOYBJDR-UHFFFAOYSA-N
XLogP0.31
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 53016516
N-Tert-butyl-4-(ethanesulfonyl)-1,4-diazepane-1-carboxamide
CID 53016515
4-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,4-diazepane-1-carboxamide
CID 53504878
N-[3-(methanesulfonamido)propyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 53505460
N-Tert-butyl-4-methanesulfonyl-1,4-diazepane-1-carboxamide
CID 53016514
N-tert-butyl-1,4-diazepane-1-carboxamide
CID 28781785
4-(3-aminopropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 43251481
4-(2-aminoethyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 43252387
4-(4-aminobutyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 43252418
4-(3-amino-2-methylpropyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 43252445
N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide
CID 60722046
N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide
CID 82239900

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide (CID 110811938) is N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide is CN(C)S(=O)(=O)N1CCCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is ZHXDLSVMOYBJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-12(2,3)13-11(17)15-7-6-8-16(10-9-15)20(18,19)14(4)5/h6-10H2,1-5H3,(H,13,17).
What are the key properties of N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide?
N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110811938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).