tert-butyl N-butyl-N-sulfamoylcarbamate

C9H20N2O4S — CID 101365553

IUPACtert-butyl N-butyl-N-sulfamoylcarbamate
SMILESCCCCN(C(=O)OC(C)(C)C)S(N)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-5-6-7-11(16(10,13)14)8(12)15-9(2,3)4/h5-7H2,1-4H3,(H2,10,13,14)
InChIKeyZWNZRYYEBKADCE-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.23
Rot. Bonds4

About tert-butyl N-butyl-N-sulfamoylcarbamate

tert-butyl N-butyl-N-sulfamoylcarbamate (PubChem CID 101365553) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is tert-butyl N-butyl-N-sulfamoylcarbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-sulfamoylcarbamate
PubChem CID101365553
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Nametert-butyl N-butyl-N-sulfamoylcarbamate
SMILESCCCCN(C(=O)OC(C)(C)C)S(N)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-5-6-7-11(16(10,13)14)8(12)15-9(2,3)4/h5-7H2,1-4H3,(H2,10,13,14)
InChIKeyZWNZRYYEBKADCE-UHFFFAOYSA-N
XLogP1.23
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate
CID 140887034
tert-butyl N-(2-aminohexyl)-N-butylcarbamate
CID 163596345
[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl] 3-ethyl-2-methylnon-2-enoate
CID 174740134
2-[[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl-formylamino]acetic acid
CID 90330196
tert-butyl N-[2-(octylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245800
tert-butyl N-amino-N-nonan-3-ylcarbamate
CID 175727450
3-[3-butanoyloxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl butanoate
CID 123332109

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-sulfamoylcarbamate?
The IUPAC name of tert-butyl N-butyl-N-sulfamoylcarbamate (CID 101365553) is tert-butyl N-butyl-N-sulfamoylcarbamate.
What is the SMILES notation for tert-butyl N-butyl-N-sulfamoylcarbamate?
The canonical SMILES for tert-butyl N-butyl-N-sulfamoylcarbamate is CCCCN(C(=O)OC(C)(C)C)S(N)(=O)=O.
What is the InChIKey of tert-butyl N-butyl-N-sulfamoylcarbamate?
The InChIKey is ZWNZRYYEBKADCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-5-6-7-11(16(10,13)14)8(12)15-9(2,3)4/h5-7H2,1-4H3,(H2,10,13,14).
What are the key properties of tert-butyl N-butyl-N-sulfamoylcarbamate?
tert-butyl N-butyl-N-sulfamoylcarbamate has a molecular weight of 252.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-sulfamoylcarbamate is sourced from PubChem (CID 101365553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).