N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide

C14H27N3O4S — CID 75461983

IUPACN-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C(CC(C)C)NS(C)(=O)=O)C1
InChIInChI=1S/C14H27N3O4S/c1-10(2)8-13(16-22(4,20)21)14(19)17-7-5-6-12(9-17)15-11(3)18/h10,12-13,16H,5-9H2,1-4H3,(H,15,18)
InChIKeyPSBHWOQKAZMJOO-UHFFFAOYSA-N
MW333.45 g/mol
LogP0.08
Rot. Bonds6

About N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide

N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide (PubChem CID 75461983) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
PubChem CID75461983
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC NameN-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C(CC(C)C)NS(C)(=O)=O)C1
InChIInChI=1S/C14H27N3O4S/c1-10(2)8-13(16-22(4,20)21)14(19)17-7-5-6-12(9-17)15-11(3)18/h10,12-13,16H,5-9H2,1-4H3,(H,15,18)
InChIKeyPSBHWOQKAZMJOO-UHFFFAOYSA-N
XLogP0.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide (CID 75461983) is N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)C(CC(C)C)NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide?
The InChIKey is PSBHWOQKAZMJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-10(2)8-13(16-22(4,20)21)14(19)17-7-5-6-12(9-17)15-11(3)18/h10,12-13,16H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide?
N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide has a molecular weight of 333.45 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 75461983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).