N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide

C12H27N3O2S — CID 103776667

IUPACN-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
SMILESCC(NCCCNS(C)(=O)=O)C1CCCN(C)C1
InChIInChI=1S/C12H27N3O2S/c1-11(12-6-4-9-15(2)10-12)13-7-5-8-14-18(3,16)17/h11-14H,4-10H2,1-3H3
InChIKeyZVUGXIXCTKMWNQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.25
Rot. Bonds7

About N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide

N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide (PubChem CID 103776667) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
PubChem CID103776667
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
SMILESCC(NCCCNS(C)(=O)=O)C1CCCN(C)C1
InChIInChI=1S/C12H27N3O2S/c1-11(12-6-4-9-15(2)10-12)13-7-5-8-14-18(3,16)17/h11-14H,4-10H2,1-3H3
InChIKeyZVUGXIXCTKMWNQ-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
CID 106334875
N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
CID 103903615
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide
CID 115708208
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628732
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917113

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide (CID 103776667) is N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide is CC(NCCCNS(C)(=O)=O)C1CCCN(C)C1.
What is the InChIKey of N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide?
The InChIKey is ZVUGXIXCTKMWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(12-6-4-9-15(2)10-12)13-7-5-8-14-18(3,16)17/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide?
N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103776667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).