tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate

C14H29ClN2O4S — CID 154708739

IUPACtert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate
SMILESCC(C)(Cl)CCN(C(=O)OC(C)(C)C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H29ClN2O4S/c1-12(2,3)16-22(19,20)17(10-9-14(7,8)15)11(18)21-13(4,5)6/h16H,9-10H2,1-8H3
InChIKeyFBOLFAYWVZNWKM-UHFFFAOYSA-N
MW356.92 g/mol
LogP3.26
Rot. Bonds5

About tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate

tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate (PubChem CID 154708739) has the molecular formula C14H29ClN2O4S and a molecular weight of 356.92 g/mol. Its IUPAC name is tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate
PubChem CID154708739
Molecular FormulaC14H29ClN2O4S
Molecular Weight356.92 g/mol
Exact Mass356.15
IUPAC Nametert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate
SMILESCC(C)(Cl)CCN(C(=O)OC(C)(C)C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H29ClN2O4S/c1-12(2,3)16-22(19,20)17(10-9-14(7,8)15)11(18)21-13(4,5)6/h16H,9-10H2,1-8H3
InChIKeyFBOLFAYWVZNWKM-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(tert-butylsulfamoyl)-N-(3-chlorobutyl)carbamate
CID 154708735
tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate
CID 130367367
tert-butyl N-(2-chloroethylsulfamoyl)-N-(cyanomethyl)carbamate
CID 101088085
tert-butyl N-butyl-N-sulfamoylcarbamate
CID 101365553
tert-butyl N-(3,3-dimethylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 177466380
tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate
CID 101437485
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N,N-bis[2-[(2-chloroacetyl)amino]ethyl]carbamate
CID 118895154
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
CID 107445324
tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
CID 167351432

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate?
The IUPAC name of tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate (CID 154708739) is tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate is CC(C)(Cl)CCN(C(=O)OC(C)(C)C)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate?
The InChIKey is FBOLFAYWVZNWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClN2O4S/c1-12(2,3)16-22(19,20)17(10-9-14(7,8)15)11(18)21-13(4,5)6/h16H,9-10H2,1-8H3.
What are the key properties of tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate?
tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate has a molecular weight of 356.92 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate is sourced from PubChem (CID 154708739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).