N-butylsulfonyl-N-oxidopentane-1-sulfonamide

C9H20NO5S2- — CID 163844134

IUPACN-butylsulfonyl-N-oxidopentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N([O-])S(=O)(=O)CCCC
InChIInChI=1S/C9H20NO5S2/c1-3-5-7-9-17(14,15)10(11)16(12,13)8-6-4-2/h3-9H2,1-2H3/q-1
InChIKeyQNVCBNLAJMMXDN-UHFFFAOYSA-N
MW286.39 g/mol
LogP1.44
Rot. Bonds9

About N-butylsulfonyl-N-oxidopentane-1-sulfonamide

N-butylsulfonyl-N-oxidopentane-1-sulfonamide (PubChem CID 163844134) has the molecular formula C9H20NO5S2- and a molecular weight of 286.39 g/mol. Its IUPAC name is N-butylsulfonyl-N-oxidopentane-1-sulfonamide.

Molecular Properties

Compound NameN-butylsulfonyl-N-oxidopentane-1-sulfonamide
PubChem CID163844134
Molecular FormulaC9H20NO5S2-
Molecular Weight286.39 g/mol
Exact Mass286.08
IUPAC NameN-butylsulfonyl-N-oxidopentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N([O-])S(=O)(=O)CCCC
InChIInChI=1S/C9H20NO5S2/c1-3-5-7-9-17(14,15)10(11)16(12,13)8-6-4-2/h3-9H2,1-2H3/q-1
InChIKeyQNVCBNLAJMMXDN-UHFFFAOYSA-N
XLogP1.44
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
N,N-diaminopentane-1-sulfonamide
CID 88729680
N,N-dimethylheptane-1-sulfonamide
CID 118391256
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
1-[butylsulfonyl(oxido)azaniumyl]sulfonylpentane
CID 163844133
silver decane-1-sulfonate
CID 18615614
CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
silver pentadecane-1-sulfonate
CID 102573896
cesium hexane-1-sulfonate
CID 141317548
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-N-oxidopentane-1-sulfonamide?
The IUPAC name of N-butylsulfonyl-N-oxidopentane-1-sulfonamide (CID 163844134) is N-butylsulfonyl-N-oxidopentane-1-sulfonamide.
What is the SMILES notation for N-butylsulfonyl-N-oxidopentane-1-sulfonamide?
The canonical SMILES for N-butylsulfonyl-N-oxidopentane-1-sulfonamide is CCCCCS(=O)(=O)N([O-])S(=O)(=O)CCCC.
What is the InChIKey of N-butylsulfonyl-N-oxidopentane-1-sulfonamide?
The InChIKey is QNVCBNLAJMMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO5S2/c1-3-5-7-9-17(14,15)10(11)16(12,13)8-6-4-2/h3-9H2,1-2H3/q-1.
What are the key properties of N-butylsulfonyl-N-oxidopentane-1-sulfonamide?
N-butylsulfonyl-N-oxidopentane-1-sulfonamide has a molecular weight of 286.39 g/mol, XLogP of 1.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-N-oxidopentane-1-sulfonamide is sourced from PubChem (CID 163844134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).