N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine

C11H24N2O2S — CID 63856793

IUPACN-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)CCC(C)C)C1
InChIInChI=1S/C11H24N2O2S/c1-10(2)6-8-16(14,15)13-7-4-5-11(9-13)12-3/h10-12H,4-9H2,1-3H3
InChIKeyVDNLDFJDZNLNSE-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds5

About N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine

N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine (PubChem CID 63856793) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
PubChem CID63856793
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)CCC(C)C)C1
InChIInChI=1S/C11H24N2O2S/c1-10(2)6-8-16(14,15)13-7-4-5-11(9-13)12-3/h10-12H,4-9H2,1-3H3
InChIKeyVDNLDFJDZNLNSE-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-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

(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
methyl (3S)-1-(3-methylbutylsulfonyl)piperidine-3-carboxylate
CID 79032932
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
1-ethylsulfonyl-N-methylpyrrolidin-3-amine
CID 83698131
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
CID 63857526
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120715473
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine (CID 63856793) is N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine is CNC1CCCN(S(=O)(=O)CCC(C)C)C1.
What is the InChIKey of N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine?
The InChIKey is VDNLDFJDZNLNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)6-8-16(14,15)13-7-4-5-11(9-13)12-3/h10-12H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine?
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine has a molecular weight of 248.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 63856793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).