N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide

C11H27N3O3S — CID 114141026

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCCN(C)CCOC
InChIInChI=1S/C11H27N3O3S/c1-12-6-4-5-11-18(15,16)13-7-8-14(2)9-10-17-3/h12-13H,4-11H2,1-3H3
InChIKeyPTBKKTXQWUYZTE-UHFFFAOYSA-N
MW281.42 g/mol
LogP-0.52
Rot. Bonds12

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide (PubChem CID 114141026) has the molecular formula C11H27N3O3S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide
PubChem CID114141026
Molecular FormulaC11H27N3O3S
Molecular Weight281.42 g/mol
Exact Mass281.18
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCCN(C)CCOC
InChIInChI=1S/C11H27N3O3S/c1-12-6-4-5-11-18(15,16)13-7-8-14(2)9-10-17-3/h12-13H,4-11H2,1-3H3
InChIKeyPTBKKTXQWUYZTE-UHFFFAOYSA-N
XLogP-0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide
CID 62850818
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
N-[2-[2-methoxyethyl(methyl)amino]ethyl]methanesulfonamide
CID 63714040
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
CID 106050688
N-[2-(diethylamino)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106034847
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide (CID 114141026) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)NCCN(C)CCOC.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide?
The InChIKey is PTBKKTXQWUYZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O3S/c1-12-6-4-5-11-18(15,16)13-7-8-14(2)9-10-17-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide has a molecular weight of 281.42 g/mol, XLogP of -0.52, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 114141026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).