4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide

C11H26N4O2S — CID 114132361

IUPAC4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H26N4O2S/c1-14(2)7-3-6-13-18(16,17)15-8-4-11(10-12)5-9-15/h11,13H,3-10,12H2,1-2H3
InChIKeyKFVZEFDANFMISD-UHFFFAOYSA-N
MW278.42 g/mol
LogP-0.56
Rot. Bonds7

About 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide

4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide (PubChem CID 114132361) has the molecular formula C11H26N4O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
PubChem CID114132361
Molecular FormulaC11H26N4O2S
Molecular Weight278.42 g/mol
Exact Mass278.18
IUPAC Name4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H26N4O2S/c1-14(2)7-3-6-13-18(16,17)15-8-4-11(10-12)5-9-15/h11,13H,3-10,12H2,1-2H3
InChIKeyKFVZEFDANFMISD-UHFFFAOYSA-N
XLogP-0.56
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 5-0.56
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-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide
CID 106055228
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077690
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018330

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide (CID 114132361) is 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide is CN(C)CCCNS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide?
The InChIKey is KFVZEFDANFMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S/c1-14(2)7-3-6-13-18(16,17)15-8-4-11(10-12)5-9-15/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide?
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114132361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).