(cyclopropanecarbonylamino) butane-1-sulfonate

C8H15NO4S — CID 57284790

IUPAC(cyclopropanecarbonylamino) butane-1-sulfonate
SMILESCCCCS(=O)(=O)ONC(=O)C1CC1
InChIInChI=1S/C8H15NO4S/c1-2-3-6-14(11,12)13-9-8(10)7-4-5-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyBMYIIVAZYAFBFT-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.57
Rot. Bonds6

About (cyclopropanecarbonylamino) butane-1-sulfonate

(cyclopropanecarbonylamino) butane-1-sulfonate (PubChem CID 57284790) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is (cyclopropanecarbonylamino) butane-1-sulfonate.

Molecular Properties

Compound Name(cyclopropanecarbonylamino) butane-1-sulfonate
PubChem CID57284790
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name(cyclopropanecarbonylamino) butane-1-sulfonate
SMILESCCCCS(=O)(=O)ONC(=O)C1CC1
InChIInChI=1S/C8H15NO4S/c1-2-3-6-14(11,12)13-9-8(10)7-4-5-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyBMYIIVAZYAFBFT-UHFFFAOYSA-N
XLogP0.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 108573610
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide
CID 145332702
4-butylcyclohexane-1-carbohydrazide
CID 2063620
(1-methylpyrrolidin-2-yl) butane-1-sulfonate
CID 178069551
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
ethyl N-(cyclopropanecarbonyl)carbamate
CID 45084465
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119800485
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
pentadecyl cyclopropanecarboxylate
CID 560133

Frequently Asked Questions

What is the IUPAC name of (cyclopropanecarbonylamino) butane-1-sulfonate?
The IUPAC name of (cyclopropanecarbonylamino) butane-1-sulfonate (CID 57284790) is (cyclopropanecarbonylamino) butane-1-sulfonate.
What is the SMILES notation for (cyclopropanecarbonylamino) butane-1-sulfonate?
The canonical SMILES for (cyclopropanecarbonylamino) butane-1-sulfonate is CCCCS(=O)(=O)ONC(=O)C1CC1.
What is the InChIKey of (cyclopropanecarbonylamino) butane-1-sulfonate?
The InChIKey is BMYIIVAZYAFBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-2-3-6-14(11,12)13-9-8(10)7-4-5-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of (cyclopropanecarbonylamino) butane-1-sulfonate?
(cyclopropanecarbonylamino) butane-1-sulfonate has a molecular weight of 221.28 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropanecarbonylamino) butane-1-sulfonate is sourced from PubChem (CID 57284790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).