ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate

C8H19N3O4S — CID 114461389

IUPACethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(CC)CCN
InChIInChI=1S/C8H19N3O4S/c1-3-7(5-6-9)10-16(13,14)11-8(12)15-4-2/h7,10H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyFIOUDSWHFZJZQR-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.31
Rot. Bonds7

About ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate

ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate (PubChem CID 114461389) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
PubChem CID114461389
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Nameethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(CC)CCN
InChIInChI=1S/C8H19N3O4S/c1-3-7(5-6-9)10-16(13,14)11-8(12)15-4-2/h7,10H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyFIOUDSWHFZJZQR-UHFFFAOYSA-N
XLogP-0.31
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
3-N-(tert-butylsulfamoyl)pentane-1,3-diamine
CID 114803978
methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
CID 114465372
5-(ethoxycarbonylsulfamoylamino)hexanoic acid
CID 114463014
ethyl N-[(1-chloro-4-methylpentan-3-yl)sulfamoyl]carbamate
CID 106356437
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
2-(ethoxycarbonylsulfamoylamino)butanedioic acid
CID 114462931
methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614
ethoxycarbonylsulfamoyl(triethyl)azanium
CID 4666391

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate (CID 114461389) is ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NC(CC)CCN.
What is the InChIKey of ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate?
The InChIKey is FIOUDSWHFZJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-3-7(5-6-9)10-16(13,14)11-8(12)15-4-2/h7,10H,3-6,9H2,1-2H3,(H,11,12).
What are the key properties of ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate?
ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate has a molecular weight of 253.32 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate is sourced from PubChem (CID 114461389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).