N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide

C10H24N2O3S — CID 79594864

IUPACN-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCCC(CCN)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C10H24N2O3S/c1-4-10(5-6-11)12-16(13,14)8-7-15-9(2)3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyZGVDAHLJHZZPTH-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.46
Rot. Bonds9

About N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide

N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594864) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79594864
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCCC(CCN)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C10H24N2O3S/c1-4-10(5-6-11)12-16(13,14)8-7-15-9(2)3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyZGVDAHLJHZZPTH-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide (CID 79594864) is N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide is CCC(CCN)NS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is ZGVDAHLJHZZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-4-10(5-6-11)12-16(13,14)8-7-15-9(2)3/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide?
N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).