N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide

C11H26N2O3S — CID 54972146

IUPACN-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-4-7-13(8-9-14)17(15,16)10-5-6-12-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyBIRYQINBUUCFIR-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.41
Rot. Bonds10

About N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide

N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide (PubChem CID 54972146) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide
PubChem CID54972146
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-4-7-13(8-9-14)17(15,16)10-5-6-12-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyBIRYQINBUUCFIR-UHFFFAOYSA-N
XLogP0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.41
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-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide (CID 54972146) is N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide is CCCN(CCO)S(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide?
The InChIKey is BIRYQINBUUCFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-4-7-13(8-9-14)17(15,16)10-5-6-12-11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide?
N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 54972146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).