N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide

C12H27N3O2S — CID 54903531

IUPACN-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C12H27N3O2S/c1-4-15(18(3,16)17)9-5-8-13-12-6-10-14(2)11-7-12/h12-13H,4-11H2,1-3H3
InChIKeyBGBMSNIZVVGCQA-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.34
Rot. Bonds7

About N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 54903531) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID54903531
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C12H27N3O2S/c1-4-15(18(3,16)17)9-5-8-13-12-6-10-14(2)11-7-12/h12-13H,4-11H2,1-3H3
InChIKeyBGBMSNIZVVGCQA-UHFFFAOYSA-N
XLogP0.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide
CID 54903580
N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide
CID 65073766
N-ethyl-N-[3-[(3-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 64502160
N-ethyl-N-[3-(oxepan-4-ylamino)propyl]methanesulfonamide
CID 65081506
N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide
CID 61014017
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 65045736
N-ethyl-N-[3-[(2-oxoazepan-4-yl)amino]propyl]methanesulfonamide
CID 63905047
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
CID 79902853

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide (CID 54903531) is N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide is CCN(CCCNC1CCN(C)CC1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is BGBMSNIZVVGCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-15(18(3,16)17)9-5-8-13-12-6-10-14(2)11-7-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 54903531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).