N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide

C10H24N2O3S — CID 61013547

IUPACN-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNCC(C)(C)O)S(C)(=O)=O
InChIInChI=1S/C10H24N2O3S/c1-5-12(16(4,14)15)8-6-7-11-9-10(2,3)13/h11,13H,5-9H2,1-4H3
InChIKeyYOEQZNSUUJXITH-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.02
Rot. Bonds8

About N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide (PubChem CID 61013547) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide
PubChem CID61013547
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNCC(C)(C)O)S(C)(=O)=O
InChIInChI=1S/C10H24N2O3S/c1-5-12(16(4,14)15)8-6-7-11-9-10(2,3)13/h11,13H,5-9H2,1-4H3
InChIKeyYOEQZNSUUJXITH-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.02
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-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide (CID 61013547) is N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide is CCN(CCCNCC(C)(C)O)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide?
The InChIKey is YOEQZNSUUJXITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-5-12(16(4,14)15)8-6-7-11-9-10(2,3)13/h11,13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 61013547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).