benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate

C15H24N2O4S — CID 71905538

IUPACbenzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate
SMILESCC(C)CCNS(=O)(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H24N2O4S/c1-13(2)8-9-17-22(19,20)11-10-16-15(18)21-12-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3,(H,16,18)
InChIKeyUUIIBBFYVMSOSG-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.88
Rot. Bonds9

About benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate

benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate (PubChem CID 71905538) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate
PubChem CID71905538
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Namebenzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate
SMILESCC(C)CCNS(=O)(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H24N2O4S/c1-13(2)8-9-17-22(19,20)11-10-16-15(18)21-12-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3,(H,16,18)
InChIKeyUUIIBBFYVMSOSG-UHFFFAOYSA-N
XLogP1.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-(methylsulfamoyl)ethyl]carbamate
CID 110292911
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
benzyl N-(6-methylheptyl)carbamate
CID 59918495
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[3-[benzenesulfonyl(3-methylbutyl)amino]propyl]carbamate
CID 71146142
(2S)-2-[2-[(3-aminophenyl)methoxycarbonylamino]ethylsulfonylamino]propanoic acid
CID 68795975
benzyl N-[(3S)-5-methyl-1-methylsulfonylhexan-3-yl]carbamate
CID 70795374
(2R)-2-(3-methylbutoxycarbonylamino)oxy-4-(phenylmethoxycarbonylamino)butanoic acid
CID 170522133
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
phenyl 2-(phenylmethoxycarbonylamino)ethanesulfonate
CID 151380826
benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
CID 134268781
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate (CID 71905538) is benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate is CC(C)CCNS(=O)(=O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate?
The InChIKey is UUIIBBFYVMSOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-13(2)8-9-17-22(19,20)11-10-16-15(18)21-12-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3,(H,16,18).
What are the key properties of benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate?
benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate has a molecular weight of 328.43 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate is sourced from PubChem (CID 71905538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).