N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine

C11H25NO3S — CID 106010216

IUPACN-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
SMILESCCS(=O)(=O)CCNCCCCOC(C)C
InChIInChI=1S/C11H25NO3S/c1-4-16(13,14)10-8-12-7-5-6-9-15-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyOAGAJIGZNYWLNO-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.22
Rot. Bonds10

About N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine

N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine (PubChem CID 106010216) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
PubChem CID106010216
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
SMILESCCS(=O)(=O)CCNCCCCOC(C)C
InChIInChI=1S/C11H25NO3S/c1-4-16(13,14)10-8-12-7-5-6-9-15-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyOAGAJIGZNYWLNO-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.22
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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Related Compounds

N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
4-ethoxy-N-[2-(2-methylpropylsulfonyl)ethyl]butan-1-amine
CID 106512953
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
CID 106121689
N-[2-(2-methylpropylsulfonyl)ethyl]hexan-1-amine
CID 106512908
N'-(2-ethylsulfonylethyl)propane-1,3-diamine
CID 62273153
N'-methyl-N'-(2-methylsulfonylethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 79859053
azane;1-propan-2-yloxydodecane;sulfuric acid
CID 175080413
ethyl 2-(4-propan-2-yloxybutylamino)acetate
CID 107095428
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine (CID 106010216) is N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine is CCS(=O)(=O)CCNCCCCOC(C)C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine?
The InChIKey is OAGAJIGZNYWLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-4-16(13,14)10-8-12-7-5-6-9-15-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine?
N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 106010216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).