N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide

C16H28N4O2S — CID 118634160

IUPACN-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCN(c2ncc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C16H28N4O2S/c1-12(2)23(21,22)19-14-6-8-20(9-7-14)15-17-10-13(11-18-15)16(3,4)5/h10-12,14,19H,6-9H2,1-5H3
InChIKeyRJFZIXKDSXOOJY-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.07
Rot. Bonds4

About N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide

N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide (PubChem CID 118634160) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide
PubChem CID118634160
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCN(c2ncc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C16H28N4O2S/c1-12(2)23(21,22)19-14-6-8-20(9-7-14)15-17-10-13(11-18-15)16(3,4)5/h10-12,14,19H,6-9H2,1-5H3
InChIKeyRJFZIXKDSXOOJY-UHFFFAOYSA-N
XLogP2.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide?
The IUPAC name of N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide (CID 118634160) is N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCN(c2ncc(C(C)(C)C)cn2)CC1.
What is the InChIKey of N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide?
The InChIKey is RJFZIXKDSXOOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-12(2)23(21,22)19-14-6-8-20(9-7-14)15-17-10-13(11-18-15)16(3,4)5/h10-12,14,19H,6-9H2,1-5H3.
What are the key properties of N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide?
N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-tert-butylpyrimidin-2-yl)piperidin-4-yl]propane-2-sulfonamide is sourced from PubChem (CID 118634160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).