4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide

C10H22N2O3S — CID 61456910

IUPAC4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CCCCN
InChIInChI=1S/C10H22N2O3S/c1-12(10-4-7-15-8-5-10)16(13,14)9-3-2-6-11/h10H,2-9,11H2,1H3
InChIKeyBUJIYYGDLHKRAP-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.17
Rot. Bonds6

About 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide

4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide (PubChem CID 61456910) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide
PubChem CID61456910
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CCCCN
InChIInChI=1S/C10H22N2O3S/c1-12(10-4-7-15-8-5-10)16(13,14)9-3-2-6-11/h10H,2-9,11H2,1H3
InChIKeyBUJIYYGDLHKRAP-UHFFFAOYSA-N
XLogP0.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 110726870
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CID 138655802
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CID 155392193

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide (CID 61456910) is 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide is CN(C1CCOCC1)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide?
The InChIKey is BUJIYYGDLHKRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-12(10-4-7-15-8-5-10)16(13,14)9-3-2-6-11/h10H,2-9,11H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide?
4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxan-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 61456910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).