N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide

C15H26N4O3S — CID 113010893

IUPACN-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C15H26N4O3S/c1-2-3-12-23(20,21)18-14-4-5-15(17-13-14)16-6-7-19-8-10-22-11-9-19/h4-5,13,18H,2-3,6-12H2,1H3,(H,16,17)
InChIKeyVFMWMWOUKYXCTD-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.37
Rot. Bonds9

About N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide

N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide (PubChem CID 113010893) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
PubChem CID113010893
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C15H26N4O3S/c1-2-3-12-23(20,21)18-14-4-5-15(17-13-14)16-6-7-19-8-10-22-11-9-19/h4-5,13,18H,2-3,6-12H2,1H3,(H,16,17)
InChIKeyVFMWMWOUKYXCTD-UHFFFAOYSA-N
XLogP1.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]carbamate
CID 113010883
5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]benzenesulfonamide
CID 113025678
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406
5-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 143501437
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
5-(methylideneamino)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 145473021
6-(2-morpholin-4-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 57402324
5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5161419
N-(2-morpholin-4-ylpyrimidin-5-yl)propane-1-sulfonamide
CID 71790207
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide (CID 113010893) is N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(NCCN2CCOCC2)nc1.
What is the InChIKey of N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is VFMWMWOUKYXCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-2-3-12-23(20,21)18-14-4-5-15(17-13-14)16-6-7-19-8-10-22-11-9-19/h4-5,13,18H,2-3,6-12H2,1H3,(H,16,17).
What are the key properties of N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide?
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113010893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).