N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide

C15H29N3O3S — CID 163345199

IUPACN-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide
SMILESCN(C1CCCN(CC(=O)NC(C)(C)C)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C15H29N3O3S/c1-15(2,3)16-14(19)11-18-9-5-6-12(10-18)17(4)22(20,21)13-7-8-13/h12-13H,5-11H2,1-4H3,(H,16,19)
InChIKeyQKNNFPAIDQVONJ-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.79
Rot. Bonds5

About N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide

N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide (PubChem CID 163345199) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide
PubChem CID163345199
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide
SMILESCN(C1CCCN(CC(=O)NC(C)(C)C)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C15H29N3O3S/c1-15(2,3)16-14(19)11-18-9-5-6-12(10-18)17(4)22(20,21)13-7-8-13/h12-13H,5-11H2,1-4H3,(H,16,19)
InChIKeyQKNNFPAIDQVONJ-UHFFFAOYSA-N
XLogP0.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide
CID 163345230
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 115918685
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346546
1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
CID 120679249
N-(tert-butylcarbamoyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62357321
2-[3-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119066267
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 121184695
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide (CID 163345199) is N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide is CN(C1CCCN(CC(=O)NC(C)(C)C)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide?
The InChIKey is QKNNFPAIDQVONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-15(2,3)16-14(19)11-18-9-5-6-12(10-18)17(4)22(20,21)13-7-8-13/h12-13H,5-11H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide?
N-tert-butyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide has a molecular weight of 331.48 g/mol, XLogP of 0.79, 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-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 163345199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).