N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide

C14H32N4O2S — CID 102998641

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)N1CCCCC1CNC
InChIInChI=1S/C14H32N4O2S/c1-5-17(11-8-10-16(3)4)21(19,20)18-12-7-6-9-14(18)13-15-2/h14-15H,5-13H2,1-4H3
InChIKeyUBXCPOXMGNKEKW-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.58
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide

N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 102998641) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID102998641
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)N1CCCCC1CNC
InChIInChI=1S/C14H32N4O2S/c1-5-17(11-8-10-16(3)4)21(19,20)18-12-7-6-9-14(18)13-15-2/h14-15H,5-13H2,1-4H3
InChIKeyUBXCPOXMGNKEKW-UHFFFAOYSA-N
XLogP0.58
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(diethylsulfamoyl)piperidin-2-yl]acetate
CID 54899577
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992516
1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60858940
3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide
CID 120584445
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 112746994
2-amino-N,N-diethylazepane-1-sulfonamide
CID 64560720
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
CID 106032299
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 82751229
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 102998641) is N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)N1CCCCC1CNC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is UBXCPOXMGNKEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-5-17(11-8-10-16(3)4)21(19,20)18-12-7-6-9-14(18)13-15-2/h14-15H,5-13H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 102998641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).