2-(decylsulfonylamino)ethylcarbamic acid

C13H28N2O4S — CID 90012721

IUPAC2-(decylsulfonylamino)ethylcarbamic acid
SMILESCCCCCCCCCCS(=O)(=O)NCCNC(=O)O
InChIInChI=1S/C13H28N2O4S/c1-2-3-4-5-6-7-8-9-12-20(18,19)15-11-10-14-13(16)17/h14-15H,2-12H2,1H3,(H,16,17)
InChIKeyYBZKQVVLCQHILQ-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.31
Rot. Bonds13

About 2-(decylsulfonylamino)ethylcarbamic acid

2-(decylsulfonylamino)ethylcarbamic acid (PubChem CID 90012721) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-(decylsulfonylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(decylsulfonylamino)ethylcarbamic acid
PubChem CID90012721
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC Name2-(decylsulfonylamino)ethylcarbamic acid
SMILESCCCCCCCCCCS(=O)(=O)NCCNC(=O)O
InChIInChI=1S/C13H28N2O4S/c1-2-3-4-5-6-7-8-9-12-20(18,19)15-11-10-14-13(16)17/h14-15H,2-12H2,1H3,(H,16,17)
InChIKeyYBZKQVVLCQHILQ-UHFFFAOYSA-N
XLogP2.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
11-(octylsulfonylamino)undecanoic acid
CID 4605614
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
N-decylbutane-1-sulfonamide
CID 19681427
potassium 3-(dodecylsulfonylamino)propanoate
CID 101285229
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852
sodium 3-(heptadecylsulfonylamino)propanoate
CID 101284824
potassium 3-(octylsulfonylamino)propanoate
CID 101285225
N-octadecylpropane-1-sulfonamide
CID 88827291
5-(methylsulfamoyl)pentylcarbamic acid
CID 87271988
7-(butylsulfonylamino)heptanoic acid
CID 24704780

Frequently Asked Questions

What is the IUPAC name of 2-(decylsulfonylamino)ethylcarbamic acid?
The IUPAC name of 2-(decylsulfonylamino)ethylcarbamic acid (CID 90012721) is 2-(decylsulfonylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(decylsulfonylamino)ethylcarbamic acid?
The canonical SMILES for 2-(decylsulfonylamino)ethylcarbamic acid is CCCCCCCCCCS(=O)(=O)NCCNC(=O)O.
What is the InChIKey of 2-(decylsulfonylamino)ethylcarbamic acid?
The InChIKey is YBZKQVVLCQHILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-2-3-4-5-6-7-8-9-12-20(18,19)15-11-10-14-13(16)17/h14-15H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-(decylsulfonylamino)ethylcarbamic acid?
2-(decylsulfonylamino)ethylcarbamic acid has a molecular weight of 308.44 g/mol, XLogP of 2.31, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylsulfonylamino)ethylcarbamic acid is sourced from PubChem (CID 90012721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).