4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine

C9H19NO3S — CID 107756941

IUPAC4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
SMILESCC1OCCC1S(=O)(=O)CCCCN
InChIInChI=1S/C9H19NO3S/c1-8-9(4-6-13-8)14(11,12)7-3-2-5-10/h8-9H,2-7,10H2,1H3
InChIKeyIPVSCDQPUYZGID-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds5

About 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine

4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine (PubChem CID 107756941) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
PubChem CID107756941
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
SMILESCC1OCCC1S(=O)(=O)CCCCN
InChIInChI=1S/C9H19NO3S/c1-8-9(4-6-13-8)14(11,12)7-3-2-5-10/h8-9H,2-7,10H2,1H3
InChIKeyIPVSCDQPUYZGID-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.32
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine?
The IUPAC name of 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine (CID 107756941) is 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine.
What is the SMILES notation for 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine?
The canonical SMILES for 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine is CC1OCCC1S(=O)(=O)CCCCN.
What is the InChIKey of 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine?
The InChIKey is IPVSCDQPUYZGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8-9(4-6-13-8)14(11,12)7-3-2-5-10/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine?
4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine is sourced from PubChem (CID 107756941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).