4-(methylsulfonylmethyl)piperidin-1-amine

C7H16N2O2S — CID 130735620

IUPAC4-(methylsulfonylmethyl)piperidin-1-amine
SMILESCS(=O)(=O)CC1CCN(N)CC1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)6-7-2-4-9(8)5-3-7/h7H,2-6,8H2,1H3
InChIKeyQUAAJGNGBXPPOR-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.38
Rot. Bonds2

About 4-(methylsulfonylmethyl)piperidin-1-amine

4-(methylsulfonylmethyl)piperidin-1-amine (PubChem CID 130735620) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)piperidin-1-amine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)piperidin-1-amine
PubChem CID130735620
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name4-(methylsulfonylmethyl)piperidin-1-amine
SMILESCS(=O)(=O)CC1CCN(N)CC1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)6-7-2-4-9(8)5-3-7/h7H,2-6,8H2,1H3
InChIKeyQUAAJGNGBXPPOR-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.38
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

ethane;1-methyl-4-(methylsulfonylmethyl)piperidine
CID 145006489
N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
CID 110736099
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-amine
CID 156804783
4-(methylsulfonylmethyl)azepane
CID 170910432
N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide
CID 123333446
1-ethyl-3-(methylsulfonylmethyl)azetidine
CID 66972312
4-(methylsulfonylmethyl)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 71062055
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
(3R)-3-(methylsulfonylmethyl)pyrrolidine
CID 124510073

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)piperidin-1-amine?
The IUPAC name of 4-(methylsulfonylmethyl)piperidin-1-amine (CID 130735620) is 4-(methylsulfonylmethyl)piperidin-1-amine.
What is the SMILES notation for 4-(methylsulfonylmethyl)piperidin-1-amine?
The canonical SMILES for 4-(methylsulfonylmethyl)piperidin-1-amine is CS(=O)(=O)CC1CCN(N)CC1.
What is the InChIKey of 4-(methylsulfonylmethyl)piperidin-1-amine?
The InChIKey is QUAAJGNGBXPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)6-7-2-4-9(8)5-3-7/h7H,2-6,8H2,1H3.
What are the key properties of 4-(methylsulfonylmethyl)piperidin-1-amine?
4-(methylsulfonylmethyl)piperidin-1-amine has a molecular weight of 192.28 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)piperidin-1-amine is sourced from PubChem (CID 130735620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).