N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide

C12H28N2O4S2 — CID 91120060

IUPACN-ethyl-N',N'-dipropylbutane-1,4-disulfonamide
SMILESCCCN(CCC)S(=O)(=O)CCCCS(=O)(=O)NCC
InChIInChI=1S/C12H28N2O4S2/c1-4-9-14(10-5-2)20(17,18)12-8-7-11-19(15,16)13-6-3/h13H,4-12H2,1-3H3
InChIKeyZFAFBUYBKUHRBK-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.16
Rot. Bonds12

About N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide

N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide (PubChem CID 91120060) has the molecular formula C12H28N2O4S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide.

Molecular Properties

Compound NameN-ethyl-N',N'-dipropylbutane-1,4-disulfonamide
PubChem CID91120060
Molecular FormulaC12H28N2O4S2
Molecular Weight328.50 g/mol
Exact Mass328.15
IUPAC NameN-ethyl-N',N'-dipropylbutane-1,4-disulfonamide
SMILESCCCN(CCC)S(=O)(=O)CCCCS(=O)(=O)NCC
InChIInChI=1S/C12H28N2O4S2/c1-4-9-14(10-5-2)20(17,18)12-8-7-11-19(15,16)13-6-3/h13H,4-12H2,1-3H3
InChIKeyZFAFBUYBKUHRBK-UHFFFAOYSA-N
XLogP1.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.16
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 N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide?
The IUPAC name of N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide (CID 91120060) is N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide.
What is the SMILES notation for N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide?
The canonical SMILES for N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide is CCCN(CCC)S(=O)(=O)CCCCS(=O)(=O)NCC.
What is the InChIKey of N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide?
The InChIKey is ZFAFBUYBKUHRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O4S2/c1-4-9-14(10-5-2)20(17,18)12-8-7-11-19(15,16)13-6-3/h13H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide?
N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide has a molecular weight of 328.50 g/mol, XLogP of 1.16, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide is sourced from PubChem (CID 91120060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).