ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate

C10H23N3O4S — CID 106286779

IUPACethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(N)C(CC)CC
InChIInChI=1S/C10H23N3O4S/c1-4-8(5-2)9(11)7-12-18(15,16)13-10(14)17-6-3/h8-9,12H,4-7,11H2,1-3H3,(H,13,14)
InChIKeyVHMISAFDESJLSU-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.33
Rot. Bonds8

About ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate

ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate (PubChem CID 106286779) has the molecular formula C10H23N3O4S and a molecular weight of 281.38 g/mol. Its IUPAC name is ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
PubChem CID106286779
Molecular FormulaC10H23N3O4S
Molecular Weight281.38 g/mol
Exact Mass281.14
IUPAC Nameethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(N)C(CC)CC
InChIInChI=1S/C10H23N3O4S/c1-4-8(5-2)9(11)7-12-18(15,16)13-10(14)17-6-3/h8-9,12H,4-7,11H2,1-3H3,(H,13,14)
InChIKeyVHMISAFDESJLSU-UHFFFAOYSA-N
XLogP0.33
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-[(2-chloro-4-methylpentyl)sulfamoyl]carbamate
CID 107158297
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
2-amino-3-ethyl-1-(sulfamoylamino)pentane
CID 106286827
methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate
CID 106288784
ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
CID 114464098
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate (CID 106286779) is ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCC(N)C(CC)CC.
What is the InChIKey of ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate?
The InChIKey is VHMISAFDESJLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S/c1-4-8(5-2)9(11)7-12-18(15,16)13-10(14)17-6-3/h8-9,12H,4-7,11H2,1-3H3,(H,13,14).
What are the key properties of ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate?
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate has a molecular weight of 281.38 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate is sourced from PubChem (CID 106286779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).