N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide

C15H33N3O2S — CID 106088421

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C15H33N3O2S/c1-14(2)16-9-5-6-12-21(19,20)17-13-15(3)7-10-18(4)11-8-15/h14,16-17H,5-13H2,1-4H3
InChIKeyCTBNPUZYPBULPJ-UHFFFAOYSA-N
MW319.52 g/mol
LogP1.42
Rot. Bonds9

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106088421) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106088421
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C15H33N3O2S/c1-14(2)16-9-5-6-12-21(19,20)17-13-15(3)7-10-18(4)11-8-15/h14,16-17H,5-13H2,1-4H3
InChIKeyCTBNPUZYPBULPJ-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107164561
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088420
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106088438
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(propylamino)ethanesulfonamide
CID 106088443
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114516179
N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114141871
N-[2-(dimethylamino)propyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114137556
4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide
CID 63829224
4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide
CID 114114593
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 107164552

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106088421) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is CTBNPUZYPBULPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-14(2)16-9-5-6-12-21(19,20)17-13-15(3)7-10-18(4)11-8-15/h14,16-17H,5-13H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 319.52 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106088421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).