N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide

C18H33N3O4S — CID 97348337

IUPACN-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C18H33N3O4S/c1-18(2,3)19-16(22)13-20(4)26(24,25)15-10-7-11-21(12-15)17(23)14-8-5-6-9-14/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m0/s1
InChIKeyZKSINDCHMSCRMM-HNNXBMFYSA-N
MW387.55 g/mol
LogP1.34
Rot. Bonds5

About N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide

N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide (PubChem CID 97348337) has the molecular formula C18H33N3O4S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide
PubChem CID97348337
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC NameN-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C18H33N3O4S/c1-18(2,3)19-16(22)13-20(4)26(24,25)15-10-7-11-21(12-15)17(23)14-8-5-6-9-14/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m0/s1
InChIKeyZKSINDCHMSCRMM-HNNXBMFYSA-N
XLogP1.34
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348227
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
CID 97348392
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
CID 97348237
1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
(3R)-1-(cyclopentanecarbonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3-sulfonamide
CID 97348282
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
CID 99785323
[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone
CID 120874346
(3R)-1-(cyclopentanecarbonyl)-N-(1-propylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348332
1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride
CID 120875867
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-(cyclopropanecarbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 43500690
N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide
CID 163345199

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide (CID 97348337) is N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide?
The InChIKey is ZKSINDCHMSCRMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-18(2,3)19-16(22)13-20(4)26(24,25)15-10-7-11-21(12-15)17(23)14-8-5-6-9-14/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide?
N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide has a molecular weight of 387.55 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide is sourced from PubChem (CID 97348337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).