N-(4-aminocyclohexyl)oxolane-3-sulfonamide

C10H20N2O3S — CID 122480085

IUPACN-(4-aminocyclohexyl)oxolane-3-sulfonamide
SMILESNC1CCC(NS(=O)(=O)C2CCOC2)CC1
InChIInChI=1S/C10H20N2O3S/c11-8-1-3-9(4-2-8)12-16(13,14)10-5-6-15-7-10/h8-10,12H,1-7,11H2
InChIKeyAYUYVKMGFOTEIQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.04
Rot. Bonds3

About N-(4-aminocyclohexyl)oxolane-3-sulfonamide

N-(4-aminocyclohexyl)oxolane-3-sulfonamide (PubChem CID 122480085) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)oxolane-3-sulfonamide
PubChem CID122480085
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(4-aminocyclohexyl)oxolane-3-sulfonamide
SMILESNC1CCC(NS(=O)(=O)C2CCOC2)CC1
InChIInChI=1S/C10H20N2O3S/c11-8-1-3-9(4-2-8)12-16(13,14)10-5-6-15-7-10/h8-10,12H,1-7,11H2
InChIKeyAYUYVKMGFOTEIQ-UHFFFAOYSA-N
XLogP-0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)oxolane-3-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)oxolane-3-sulfonamide (CID 122480085) is N-(4-aminocyclohexyl)oxolane-3-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)oxolane-3-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)oxolane-3-sulfonamide is NC1CCC(NS(=O)(=O)C2CCOC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)oxolane-3-sulfonamide?
The InChIKey is AYUYVKMGFOTEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c11-8-1-3-9(4-2-8)12-16(13,14)10-5-6-15-7-10/h8-10,12H,1-7,11H2.
What are the key properties of N-(4-aminocyclohexyl)oxolane-3-sulfonamide?
N-(4-aminocyclohexyl)oxolane-3-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)oxolane-3-sulfonamide is sourced from PubChem (CID 122480085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).