2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide

C16H28N2O3S — CID 50950272

IUPAC2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCN(CCNC(=O)CC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O
InChIInChI=1S/C16H28N2O3S/c1-18(22(2,20)21)4-3-17-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyKFJPILGXSFKVGB-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.60
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide

2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide (PubChem CID 50950272) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide
PubChem CID50950272
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCN(CCNC(=O)CC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O
InChIInChI=1S/C16H28N2O3S/c1-18(22(2,20)21)4-3-17-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyKFJPILGXSFKVGB-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide (CID 50950272) is 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide is CN(CCNC(=O)CC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide?
The InChIKey is KFJPILGXSFKVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-18(22(2,20)21)4-3-17-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide?
2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide has a molecular weight of 328.48 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]acetamide is sourced from PubChem (CID 50950272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).