N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide

C11H26N2O2S — CID 106053850

IUPACN-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NC(C)C(C)CC
InChIInChI=1S/C11H26N2O2S/c1-5-7-12-8-9-16(14,15)13-11(4)10(3)6-2/h10-13H,5-9H2,1-4H3
InChIKeyILFAIKZVISAXBG-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.34
Rot. Bonds9

About N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide

N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide (PubChem CID 106053850) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide
PubChem CID106053850
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NC(C)C(C)CC
InChIInChI=1S/C11H26N2O2S/c1-5-7-12-8-9-16(14,15)13-11(4)10(3)6-2/h10-13H,5-9H2,1-4H3
InChIKeyILFAIKZVISAXBG-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide
CID 79589472
1-bromo-N-(3-methylpentan-2-yl)methanesulfonamide
CID 83086988
N-(1-cyclopentylethyl)-2-(propylamino)ethanesulfonamide
CID 106066112
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
N-[1-(4-bromophenyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106049594
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106059672
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide
CID 106069012
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106074272
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
CID 103096884
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
CID 120716053

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide (CID 106053850) is N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NC(C)C(C)CC.
What is the InChIKey of N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide?
The InChIKey is ILFAIKZVISAXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-7-12-8-9-16(14,15)13-11(4)10(3)6-2/h10-13H,5-9H2,1-4H3.
What are the key properties of N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide?
N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 106053850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).