4-amino-N-(oxolan-3-yl)butane-1-sulfonamide

C8H18N2O3S — CID 80716902

IUPAC4-amino-N-(oxolan-3-yl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NC1CCOC1
InChIInChI=1S/C8H18N2O3S/c9-4-1-2-6-14(11,12)10-8-3-5-13-7-8/h8,10H,1-7,9H2
InChIKeyDLTCCQYHEILOPU-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.57
Rot. Bonds6

About 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide

4-amino-N-(oxolan-3-yl)butane-1-sulfonamide (PubChem CID 80716902) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(oxolan-3-yl)butane-1-sulfonamide
PubChem CID80716902
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name4-amino-N-(oxolan-3-yl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NC1CCOC1
InChIInChI=1S/C8H18N2O3S/c9-4-1-2-6-14(11,12)10-8-3-5-13-7-8/h8,10H,1-7,9H2
InChIKeyDLTCCQYHEILOPU-UHFFFAOYSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(oxolan-3-ylsulfamoyl)butanoate
CID 80716402
3-[[3-aminopropyl(methyl)sulfamoyl]amino]oxolane
CID 80716322
N-(oxan-3-yl)propane-1-sulfonamide
CID 63611666
N-(oxan-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106065217
2-amino-N-cyclopropylethanesulfonamide
CID 16787497
N-(oxan-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065335
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
6-bromo-N-cyclopropylhexane-1-sulfonamide
CID 22111560
N-cyclopropylhexane-1-sulfonamide
CID 67119181
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
CID 106075175
3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide
CID 63923323

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide (CID 80716902) is 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide is NCCCCS(=O)(=O)NC1CCOC1.
What is the InChIKey of 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide?
The InChIKey is DLTCCQYHEILOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-4-1-2-6-14(11,12)10-8-3-5-13-7-8/h8,10H,1-7,9H2.
What are the key properties of 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide?
4-amino-N-(oxolan-3-yl)butane-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxolan-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 80716902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).