N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide

C14H32N4O2S — CID 106052235

IUPACN-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C14H32N4O2S/c1-5-17(6-2)11-13(3)16-21(19,20)18-9-7-8-14(12-18)10-15-4/h13-16H,5-12H2,1-4H3
InChIKeyBYDWTLCTRQIIFG-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.48
Rot. Bonds9

About N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide

N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106052235) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106052235
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC NameN-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C14H32N4O2S/c1-5-17(6-2)11-13(3)16-21(19,20)18-9-7-8-14(12-18)10-15-4/h13-16H,5-12H2,1-4H3
InChIKeyBYDWTLCTRQIIFG-UHFFFAOYSA-N
XLogP0.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106063964
N-[1-(dimethylamino)propan-2-yl]-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106074497
3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106022034
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106079419
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106054302
3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 106053452
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106052235) is N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide is CCN(CC)CC(C)NS(=O)(=O)N1CCCC(CNC)C1.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is BYDWTLCTRQIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-5-17(6-2)11-13(3)16-21(19,20)18-9-7-8-14(12-18)10-15-4/h13-16H,5-12H2,1-4H3.
What are the key properties of N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106052235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).