N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide

C12H27N3O2S — CID 120847871

IUPACN-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-9-18(16,17)14-11-5-7-15(8-6-11)10-12(2,3)13/h11,14H,4-10,13H2,1-3H3
InChIKeyMKHARYBFXFIHGC-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.52
Rot. Bonds6

About N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 120847871) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID120847871
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-9-18(16,17)14-11-5-7-15(8-6-11)10-12(2,3)13/h11,14H,4-10,13H2,1-3H3
InChIKeyMKHARYBFXFIHGC-UHFFFAOYSA-N
XLogP0.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide (CID 120847871) is N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(CC(C)(C)N)CC1.
What is the InChIKey of N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is MKHARYBFXFIHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-9-18(16,17)14-11-5-7-15(8-6-11)10-12(2,3)13/h11,14H,4-10,13H2,1-3H3.
What are the key properties of N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 120847871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).