N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide

C8H19N3O2S — CID 123333446

IUPACN-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(N)CC1
InChIInChI=1S/C8H19N3O2S/c1-3-14(12,13)10(2)8-4-6-11(9)7-5-8/h8H,3-7,9H2,1-2H3
InChIKeySMUDDFHLQXGVMO-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.39
Rot. Bonds3

About N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide

N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide (PubChem CID 123333446) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide
PubChem CID123333446
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(N)CC1
InChIInChI=1S/C8H19N3O2S/c1-3-14(12,13)10(2)8-4-6-11(9)7-5-8/h8H,3-7,9H2,1-2H3
InChIKeySMUDDFHLQXGVMO-UHFFFAOYSA-N
XLogP-0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide
CID 58035050
N-methyl-N-piperidin-4-ylethanesulfonamide
CID 43606907
N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 119322034
N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide
CID 124828912
N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 167837979
1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 83092528
N-cyclohexyl-N-methylpropane-1-sulfonamide
CID 60643282
2-amino-N-cyclopropyl-N-methylethanesulfonamide
CID 43264970
N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride
CID 119945365
N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 119322028
N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide
CID 133309388
4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)butane-1-sulfonamide
CID 116815908

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide?
The IUPAC name of N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide (CID 123333446) is N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide?
The canonical SMILES for N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(N)CC1.
What is the InChIKey of N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide?
The InChIKey is SMUDDFHLQXGVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-3-14(12,13)10(2)8-4-6-11(9)7-5-8/h8H,3-7,9H2,1-2H3.
What are the key properties of N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide?
N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 123333446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).