N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine

C10H24N2O3S — CID 78881826

IUPACN-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)S(=O)(=O)N(C)C
InChIInChI=1S/C10H24N2O3S/c1-6-10(7-2)12(8-9-15-5)16(13,14)11(3)4/h10H,6-9H2,1-5H3
InChIKeyBNHYBVIZHYTZHR-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.93
Rot. Bonds8

About N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine

N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 78881826) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine
PubChem CID78881826
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)S(=O)(=O)N(C)C
InChIInChI=1S/C10H24N2O3S/c1-6-10(7-2)12(8-9-15-5)16(13,14)11(3)4/h10H,6-9H2,1-5H3
InChIKeyBNHYBVIZHYTZHR-UHFFFAOYSA-N
XLogP0.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine (CID 78881826) is N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)S(=O)(=O)N(C)C.
What is the InChIKey of N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is BNHYBVIZHYTZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-6-10(7-2)12(8-9-15-5)16(13,14)11(3)4/h10H,6-9H2,1-5H3.
What are the key properties of N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine?
N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 252.38 g/mol, XLogP of 0.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 78881826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).