N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide

C13H30N4O2S — CID 106017143

IUPACN-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)NCC(C)N(C)C)CC1
InChIInChI=1S/C13H30N4O2S/c1-5-14-11-13-6-8-17(9-7-13)20(18,19)15-10-12(2)16(3)4/h12-15H,5-11H2,1-4H3
InChIKeyLVAUCBJBCAVOHQ-UHFFFAOYSA-N
MW306.48 g/mol
LogP0.09
Rot. Bonds8

About N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide

N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106017143) has the molecular formula C13H30N4O2S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID106017143
Molecular FormulaC13H30N4O2S
Molecular Weight306.48 g/mol
Exact Mass306.21
IUPAC NameN-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)NCC(C)N(C)C)CC1
InChIInChI=1S/C13H30N4O2S/c1-5-14-11-13-6-8-17(9-7-13)20(18,19)15-10-12(2)16(3)4/h12-15H,5-11H2,1-4H3
InChIKeyLVAUCBJBCAVOHQ-UHFFFAOYSA-N
XLogP0.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106079875
N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409103
N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078679
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
4-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]piperidine-1-sulfonamide
CID 106090911
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
methyl 2-[1-(ethylsulfamoyl)piperidin-4-yl]acetate
CID 58553182

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide (CID 106017143) is N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCN(S(=O)(=O)NCC(C)N(C)C)CC1.
What is the InChIKey of N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is LVAUCBJBCAVOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O2S/c1-5-14-11-13-6-8-17(9-7-13)20(18,19)15-10-12(2)16(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide?
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 306.48 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106017143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).