4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide

C13H29N3O2S — CID 106082653

IUPAC4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H29N3O2S/c1-14-8-3-4-12-19(17,18)15-9-5-13-6-10-16(2)11-7-13/h13-15H,3-12H2,1-2H3
InChIKeyCUOXTNHBFZENSF-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.64
Rot. Bonds9

About 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide

4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide (PubChem CID 106082653) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
PubChem CID106082653
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H29N3O2S/c1-14-8-3-4-12-19(17,18)15-9-5-13-6-10-16(2)11-7-13/h13-15H,3-12H2,1-2H3
InChIKeyCUOXTNHBFZENSF-UHFFFAOYSA-N
XLogP0.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 114516550
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114516179
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088420
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 114096531
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide (CID 106082653) is 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide is CNCCCCS(=O)(=O)NCCC1CCN(C)CC1.
What is the InChIKey of 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide?
The InChIKey is CUOXTNHBFZENSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-14-8-3-4-12-19(17,18)15-9-5-13-6-10-16(2)11-7-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide?
4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 106082653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).