ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate

C15H29N3O5S — CID 113148688

IUPACethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(C(C)CC)S(C)(=O)=O)CC1
InChIInChI=1S/C15H29N3O5S/c1-5-12(3)18(24(4,21)22)11-14(19)16-13-7-9-17(10-8-13)15(20)23-6-2/h12-13H,5-11H2,1-4H3,(H,16,19)
InChIKeyCDMHKPOPDBUGPX-UHFFFAOYSA-N
MW363.48 g/mol
LogP0.78
Rot. Bonds7

About ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate (PubChem CID 113148688) has the molecular formula C15H29N3O5S and a molecular weight of 363.48 g/mol. Its IUPAC name is ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate
PubChem CID113148688
Molecular FormulaC15H29N3O5S
Molecular Weight363.48 g/mol
Exact Mass363.18
IUPAC Nameethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(C(C)CC)S(C)(=O)=O)CC1
InChIInChI=1S/C15H29N3O5S/c1-5-12(3)18(24(4,21)22)11-14(19)16-13-7-9-17(10-8-13)15(20)23-6-2/h12-13H,5-11H2,1-4H3,(H,16,19)
InChIKeyCDMHKPOPDBUGPX-UHFFFAOYSA-N
XLogP0.78
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[4-(methylsulfonyl)-1-piperazinyl]acetamide
CID 17376168
ethyl 4-[N-cyclohexyl-N-(methylsulfonyl)glycyl]-1-piperazinecarboxylate
CID 1090900
Ethyl 4-(2-(tert-butylamino)-2-oxoacetamido)piperidine-1-carboxylate
CID 45497341
Sdccgsbi-0662580.P001
CID 134788709
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 53509564
N-cyclopropyl-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 40099396
Ethyl 4-({2-[(dimethylamino)sulfonyl]ethyl}amino)piperidine-1-carboxylate
CID 50972043
N-(1-methylsulfonylpiperidin-4-yl)-2-oxoacetamide
CID 21031054
Ethyl 4-[[2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 22596226
Butyl 4-(methylsulfonamido)piperidine-1-carboxylate
CID 86700931
[1-[2-(Methanesulfonamido)acetyl]piperidin-4-yl]carbamic acid
CID 156534204
Methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate
CID 168939931

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate (CID 113148688) is ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN(C(C)CC)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is CDMHKPOPDBUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5S/c1-5-12(3)18(24(4,21)22)11-14(19)16-13-7-9-17(10-8-13)15(20)23-6-2/h12-13H,5-11H2,1-4H3,(H,16,19).
What are the key properties of ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 363.48 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[butan-2-yl(methylsulfonyl)amino]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113148688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).