3-(sulfoamino)pentylcarbamic acid

C6H14N2O5S — CID 173365127

IUPAC3-(sulfoamino)pentylcarbamic acid
SMILESCCC(CCNC(=O)O)NS(=O)(=O)O
InChIInChI=1S/C6H14N2O5S/c1-2-5(8-14(11,12)13)3-4-7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)(H,11,12,13)
InChIKeyBHDLXLFOJYEVNH-UHFFFAOYSA-N
MW226.25 g/mol
LogP-0.18
Rot. Bonds6

About 3-(sulfoamino)pentylcarbamic acid

3-(sulfoamino)pentylcarbamic acid (PubChem CID 173365127) has the molecular formula C6H14N2O5S and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(sulfoamino)pentylcarbamic acid.

Molecular Properties

Compound Name3-(sulfoamino)pentylcarbamic acid
PubChem CID173365127
Molecular FormulaC6H14N2O5S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Name3-(sulfoamino)pentylcarbamic acid
SMILESCCC(CCNC(=O)O)NS(=O)(=O)O
InChIInChI=1S/C6H14N2O5S/c1-2-5(8-14(11,12)13)3-4-7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)(H,11,12,13)
InChIKeyBHDLXLFOJYEVNH-UHFFFAOYSA-N
XLogP-0.18
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

10-(carboxyamino)decan-3-ylcarbamic acid
CID 175071012
3,3-diethoxypropylcarbamic acid
CID 21075732
2-(carboxyamino)ethanesulfonic acid
CID 22476560
3,3-bis(dimethylsilyl)propylcarbamic acid
CID 173292919
ethane;propylcarbamic acid
CID 155733503
3-methyloctylcarbamic acid
CID 176952231
[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid
CID 87694263
3-[(4-methylphenyl)sulfonylamino]butylcarbamic acid
CID 139490787
butylcarbamic acid
CID 3026651
2-(pentan-3-ylsulfamoyl)propanoic acid
CID 61454293
azane;2-methylsulfonylethylcarbamic acid
CID 174924120
4-(diethylamino)hexylcarbamic acid
CID 87586804

Frequently Asked Questions

What is the IUPAC name of 3-(sulfoamino)pentylcarbamic acid?
The IUPAC name of 3-(sulfoamino)pentylcarbamic acid (CID 173365127) is 3-(sulfoamino)pentylcarbamic acid.
What is the SMILES notation for 3-(sulfoamino)pentylcarbamic acid?
The canonical SMILES for 3-(sulfoamino)pentylcarbamic acid is CCC(CCNC(=O)O)NS(=O)(=O)O.
What is the InChIKey of 3-(sulfoamino)pentylcarbamic acid?
The InChIKey is BHDLXLFOJYEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O5S/c1-2-5(8-14(11,12)13)3-4-7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)(H,11,12,13).
What are the key properties of 3-(sulfoamino)pentylcarbamic acid?
3-(sulfoamino)pentylcarbamic acid has a molecular weight of 226.25 g/mol, XLogP of -0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfoamino)pentylcarbamic acid is sourced from PubChem (CID 173365127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).