N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide

C15H28N2O4S — CID 124733964

IUPACN-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide
SMILESC[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C15H28N2O4S/c1-12(13(2)22(4,20)21)16(3)15(19)11-17-10-8-6-5-7-9-14(17)18/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyLUPRGMXGRDIULV-OLZOCXBDSA-N
MW332.47 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide

N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 124733964) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide
PubChem CID124733964
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC NameN-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide
SMILESC[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C15H28N2O4S/c1-12(13(2)22(4,20)21)16(3)15(19)11-17-10-8-6-5-7-9-14(17)18/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyLUPRGMXGRDIULV-OLZOCXBDSA-N
XLogP1.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride
CID 119582890
3-[[2-(2-oxoazepan-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830738
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid
CID 55007881
N-cyclopentyl-N-ethyl-2-(2-oxopiperidin-1-yl)acetamide
CID 78864293
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119194934
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
N-methyl-2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62310011
2-(2-oxopiperidin-1-yl)acetate
CID 18981165
N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 156603357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide (CID 124733964) is N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide is C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CN1CCCCCCC1=O.
What is the InChIKey of N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is LUPRGMXGRDIULV-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-12(13(2)22(4,20)21)16(3)15(19)11-17-10-8-6-5-7-9-14(17)18/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide?
N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 124733964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).