4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide

C13H29N3O2S — CID 83147300

IUPAC4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
SMILESCC(CNS(=O)(=O)N1CCC(CN)CC1)C(C)(C)C
InChIInChI=1S/C13H29N3O2S/c1-11(13(2,3)4)10-15-19(17,18)16-7-5-12(9-14)6-8-16/h11-12,15H,5-10,14H2,1-4H3
InChIKeyNRONFTSLNLNVGW-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.17
Rot. Bonds5

About 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide (PubChem CID 83147300) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
PubChem CID83147300
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
SMILESCC(CNS(=O)(=O)N1CCC(CN)CC1)C(C)(C)C
InChIInChI=1S/C13H29N3O2S/c1-11(13(2,3)4)10-15-19(17,18)16-7-5-12(9-14)6-8-16/h11-12,15H,5-10,14H2,1-4H3
InChIKeyNRONFTSLNLNVGW-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077690
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide (CID 83147300) is 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide is CC(CNS(=O)(=O)N1CCC(CN)CC1)C(C)(C)C.
What is the InChIKey of 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide?
The InChIKey is NRONFTSLNLNVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-11(13(2,3)4)10-15-19(17,18)16-7-5-12(9-14)6-8-16/h11-12,15H,5-10,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 83147300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).