N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine

C12H26N2O2S — CID 106723502

IUPACN-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCNCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)17(15,16)9-6-13-10-12-4-7-14(3)8-5-12/h11-13H,4-10H2,1-3H3
InChIKeyYXQIVLOTDNABLZ-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds6

About N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine

N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine (PubChem CID 106723502) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
PubChem CID106723502
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCNCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)17(15,16)9-6-13-10-12-4-7-14(3)8-5-12/h11-13H,4-10H2,1-3H3
InChIKeyYXQIVLOTDNABLZ-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
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

1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
CID 106723200
N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106121423
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723274
2-butan-2-ylsulfonyl-N-(cyclopentylmethyl)ethanamine
CID 106512704
2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 106723973
1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115900963
3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 115214151
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine (CID 106723502) is N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine is CC(C)S(=O)(=O)CCNCC1CCN(C)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine?
The InChIKey is YXQIVLOTDNABLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)17(15,16)9-6-13-10-12-4-7-14(3)8-5-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine?
N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine is sourced from PubChem (CID 106723502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).