2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine

C12H26N2O2S — CID 79612453

IUPAC2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)13-8-7-11-6-5-9-14(10-11)17(4,15)16/h11,13H,5-10H2,1-4H3
InChIKeyIMZYBHCNRNWHFD-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.44
Rot. Bonds4

About 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine

2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine (PubChem CID 79612453) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
PubChem CID79612453
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)13-8-7-11-6-5-9-14(10-11)17(4,15)16/h11,13H,5-10H2,1-4H3
InChIKeyIMZYBHCNRNWHFD-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(tert-butylamino)-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116557871
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
3-(3-bromo-4,4-dimethylpentyl)-1-methylsulfonylpiperidine
CID 79622466
3-(4-chlorobutyl)-1-methylsulfonylpiperidine
CID 79622058
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine (CID 79612453) is 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine is CC(C)(C)NCCC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine?
The InChIKey is IMZYBHCNRNWHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2,3)13-8-7-11-6-5-9-14(10-11)17(4,15)16/h11,13H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine has a molecular weight of 262.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79612453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).