1-methyl-4-[methyl(sulfinato)amino]piperidine

C7H15N2O2S- — CID 67051302

IUPAC1-methyl-4-[methyl(sulfinato)amino]piperidine
SMILESCN1CCC(N(C)S(=O)[O-])CC1
InChIInChI=1S/C7H16N2O2S/c1-8-5-3-7(4-6-8)9(2)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1
InChIKeyQRCMMAHUHZEVHE-UHFFFAOYSA-M
MW191.28 g/mol
LogP-0.19
Rot. Bonds2

About 1-methyl-4-[methyl(sulfinato)amino]piperidine

1-methyl-4-[methyl(sulfinato)amino]piperidine (PubChem CID 67051302) has the molecular formula C7H15N2O2S- and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-methyl-4-[methyl(sulfinato)amino]piperidine.

Molecular Properties

Compound Name1-methyl-4-[methyl(sulfinato)amino]piperidine
PubChem CID67051302
Molecular FormulaC7H15N2O2S-
Molecular Weight191.28 g/mol
Exact Mass191.09
IUPAC Name1-methyl-4-[methyl(sulfinato)amino]piperidine
SMILESCN1CCC(N(C)S(=O)[O-])CC1
InChIInChI=1S/C7H16N2O2S/c1-8-5-3-7(4-6-8)9(2)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1
InChIKeyQRCMMAHUHZEVHE-UHFFFAOYSA-M
XLogP-0.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide
CID 167963266
N-iodo-N,1-dimethylpiperidin-4-amine
CID 134413074
(sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate
CID 174662175
N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide
CID 58035050
2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 79406516
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 158426450
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl(sulfinato)amino]piperidine?
The IUPAC name of 1-methyl-4-[methyl(sulfinato)amino]piperidine (CID 67051302) is 1-methyl-4-[methyl(sulfinato)amino]piperidine.
What is the SMILES notation for 1-methyl-4-[methyl(sulfinato)amino]piperidine?
The canonical SMILES for 1-methyl-4-[methyl(sulfinato)amino]piperidine is CN1CCC(N(C)S(=O)[O-])CC1.
What is the InChIKey of 1-methyl-4-[methyl(sulfinato)amino]piperidine?
The InChIKey is QRCMMAHUHZEVHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N2O2S/c1-8-5-3-7(4-6-8)9(2)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 1-methyl-4-[methyl(sulfinato)amino]piperidine?
1-methyl-4-[methyl(sulfinato)amino]piperidine has a molecular weight of 191.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl(sulfinato)amino]piperidine is sourced from PubChem (CID 67051302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).