ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate

C12H27N3O4S — CID 114461365

IUPACethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)NC(=O)OCC
InChIInChI=1S/C12H27N3O4S/c1-5-9-15(12(6-2,7-3)10-13)20(17,18)14-11(16)19-8-4/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyZMOFTPBUYTYQDT-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.21
Rot. Bonds9

About ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate

ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate (PubChem CID 114461365) has the molecular formula C12H27N3O4S and a molecular weight of 309.43 g/mol. Its IUPAC name is ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate
PubChem CID114461365
Molecular FormulaC12H27N3O4S
Molecular Weight309.43 g/mol
Exact Mass309.17
IUPAC Nameethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)NC(=O)OCC
InChIInChI=1S/C12H27N3O4S/c1-5-9-15(12(6-2,7-3)10-13)20(17,18)14-11(16)19-8-4/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyZMOFTPBUYTYQDT-UHFFFAOYSA-N
XLogP1.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102783716
ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate
CID 107423314
propan-2-yl N-[3-(aminomethyl)pentan-3-ylsulfamoyl]carbamate
CID 113588469
ethyl N-[3-(aminomethyl)pentan-3-ylsulfamoyl]carbamate
CID 113588470
propan-2-yl N-[(1-amino-2-methylbutan-2-yl)-methylsulfamoyl]carbamate
CID 113588479
ethyl N-[3-(aminomethyl)pentan-3-yl-methylsulfamoyl]carbamate
CID 113588480
methyl N-[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]carbamate
CID 113588481
ethyl N-(3-amino-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 113589019
propan-2-yl N-[(2-amino-2-ethylbutyl)sulfamoyl]carbamate
CID 113589070
ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
CID 114461300
propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate
CID 114461302
ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate
CID 114461303

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate (CID 114461365) is ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate is CCCN(C(CC)(CC)CN)S(=O)(=O)NC(=O)OCC.
What is the InChIKey of ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate?
The InChIKey is ZMOFTPBUYTYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O4S/c1-5-9-15(12(6-2,7-3)10-13)20(17,18)14-11(16)19-8-4/h5-10,13H2,1-4H3,(H,14,16).
What are the key properties of ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate?
ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate has a molecular weight of 309.43 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate is sourced from PubChem (CID 114461365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).