N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide

C14H26N4O3S — CID 100842533

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C14H26N4O3S/c1-11(2)14(3,10-15)16-13(19)9-18-7-5-6-12(8-18)17-22(4,20)21/h11-12,17H,5-9H2,1-4H3,(H,16,19)/t12-,14+/m1/s1
InChIKeyABBXTEAKZYLGMA-OCCSQVGLSA-N
MW330.45 g/mol
LogP0.05
Rot. Bonds6

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide (PubChem CID 100842533) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide
PubChem CID100842533
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C14H26N4O3S/c1-11(2)14(3,10-15)16-13(19)9-18-7-5-6-12(8-18)17-22(4,20)21/h11-12,17H,5-9H2,1-4H3,(H,16,19)/t12-,14+/m1/s1
InChIKeyABBXTEAKZYLGMA-OCCSQVGLSA-N
XLogP0.05
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide with MolForge

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Related Compounds

2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95324163
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95270915
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51287537
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 51227036
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 31930775
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833896
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407960
2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 95142904
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide (CID 100842533) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide is CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide?
The InChIKey is ABBXTEAKZYLGMA-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-11(2)14(3,10-15)16-13(19)9-18-7-5-6-12(8-18)17-22(4,20)21/h11-12,17H,5-9H2,1-4H3,(H,16,19)/t12-,14+/m1/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide is sourced from PubChem (CID 100842533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).