N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide

C11H25N3O2S — CID 43136910

IUPACN-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
SMILESCCN(CCCN)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H25N3O2S/c1-3-13(9-5-7-12)17(15,16)14-8-4-6-11(2)10-14/h11H,3-10,12H2,1-2H3
InChIKeyABTWUPKKXGAIPE-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.63
Rot. Bonds6

About N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide

N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide (PubChem CID 43136910) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
PubChem CID43136910
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
SMILESCCN(CCCN)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H25N3O2S/c1-3-13(9-5-7-12)17(15,16)14-8-4-6-11(2)10-14/h11H,3-10,12H2,1-2H3
InChIKeyABTWUPKKXGAIPE-UHFFFAOYSA-N
XLogP0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910645
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 54983626
methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 54942106
(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide
CID 62009652
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide (CID 43136910) is N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide is CCN(CCCN)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide?
The InChIKey is ABTWUPKKXGAIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-13(9-5-7-12)17(15,16)14-8-4-6-11(2)10-14/h11H,3-10,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43136910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).