N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine

C14H30N2O3S — CID 63879116

IUPACN-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCCS(=O)(=O)N1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C14H30N2O3S/c1-14(2,3)15-11-13-7-5-8-16(12-13)20(17,18)10-6-9-19-4/h13,15H,5-12H2,1-4H3
InChIKeyQXRVYNHNXDIIHQ-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.45
Rot. Bonds7

About N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63879116) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID63879116
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCCS(=O)(=O)N1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C14H30N2O3S/c1-14(2,3)15-11-13-7-5-8-16(12-13)20(17,18)10-6-9-19-4/h13,15H,5-12H2,1-4H3
InChIKeyQXRVYNHNXDIIHQ-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95331028
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63848836
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
(3R)-1-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)azepane
CID 124735492
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine (CID 63879116) is N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine is COCCCS(=O)(=O)N1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QXRVYNHNXDIIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-14(2,3)15-11-13-7-5-8-16(12-13)20(17,18)10-6-9-19-4/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 306.47 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63879116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).