N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide

C14H32N2O4S2 — CID 10155236

IUPACN-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C14H32N2O4S2/c1-13(2)21(17,18)15-11-9-7-5-6-8-10-12-16-22(19,20)14(3)4/h13-16H,5-12H2,1-4H3
InChIKeyNFULISLITGUUKS-UHFFFAOYSA-N
MW356.55 g/mol
LogP1.98
Rot. Bonds13

About N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide

N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide (PubChem CID 10155236) has the molecular formula C14H32N2O4S2 and a molecular weight of 356.55 g/mol. Its IUPAC name is N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide
PubChem CID10155236
Molecular FormulaC14H32N2O4S2
Molecular Weight356.55 g/mol
Exact Mass356.18
IUPAC NameN-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C14H32N2O4S2/c1-13(2)21(17,18)15-11-9-7-5-6-8-10-12-16-22(19,20)14(3)4/h13-16H,5-12H2,1-4H3
InChIKeyNFULISLITGUUKS-UHFFFAOYSA-N
XLogP1.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide?
The IUPAC name of N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide (CID 10155236) is N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide.
What is the SMILES notation for N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide?
The canonical SMILES for N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCCCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide?
The InChIKey is NFULISLITGUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O4S2/c1-13(2)21(17,18)15-11-9-7-5-6-8-10-12-16-22(19,20)14(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide?
N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide has a molecular weight of 356.55 g/mol, XLogP of 1.98, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(propan-2-ylsulfonylamino)octyl]propane-2-sulfonamide is sourced from PubChem (CID 10155236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).