furan-3-carbonyl(hexyl)sulfamic acid

C11H17NO5S — CID 67595409

IUPACfuran-3-carbonyl(hexyl)sulfamic acid
SMILESCCCCCCN(C(=O)c1ccoc1)S(=O)(=O)O
InChIInChI=1S/C11H17NO5S/c1-2-3-4-5-7-12(18(14,15)16)11(13)10-6-8-17-9-10/h6,8-9H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyIXUYTOUGRGRFBE-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.10
Rot. Bonds7

About furan-3-carbonyl(hexyl)sulfamic acid

furan-3-carbonyl(hexyl)sulfamic acid (PubChem CID 67595409) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is furan-3-carbonyl(hexyl)sulfamic acid.

Molecular Properties

Compound Namefuran-3-carbonyl(hexyl)sulfamic acid
PubChem CID67595409
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Namefuran-3-carbonyl(hexyl)sulfamic acid
SMILESCCCCCCN(C(=O)c1ccoc1)S(=O)(=O)O
InChIInChI=1S/C11H17NO5S/c1-2-3-4-5-7-12(18(14,15)16)11(13)10-6-8-17-9-10/h6,8-9H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyIXUYTOUGRGRFBE-UHFFFAOYSA-N
XLogP2.10
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methylfuran-3-carboxamide
CID 110855744
N-decylfuran-3-carboxamide
CID 117059205
N-pentylfuran-3-carboxamide
CID 91139562
N-butan-2-yl-N-butylfuran-3-carboxamide
CID 78858377
2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium
CID 7218508
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4191902
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
N-(2-aminoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 61350095
N,N-bis(3-methylbutyl)furan-3-carboxamide
CID 78833315
N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
CID 3449289

Frequently Asked Questions

What is the IUPAC name of furan-3-carbonyl(hexyl)sulfamic acid?
The IUPAC name of furan-3-carbonyl(hexyl)sulfamic acid (CID 67595409) is furan-3-carbonyl(hexyl)sulfamic acid.
What is the SMILES notation for furan-3-carbonyl(hexyl)sulfamic acid?
The canonical SMILES for furan-3-carbonyl(hexyl)sulfamic acid is CCCCCCN(C(=O)c1ccoc1)S(=O)(=O)O.
What is the InChIKey of furan-3-carbonyl(hexyl)sulfamic acid?
The InChIKey is IXUYTOUGRGRFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-2-3-4-5-7-12(18(14,15)16)11(13)10-6-8-17-9-10/h6,8-9H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of furan-3-carbonyl(hexyl)sulfamic acid?
furan-3-carbonyl(hexyl)sulfamic acid has a molecular weight of 275.33 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbonyl(hexyl)sulfamic acid is sourced from PubChem (CID 67595409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).