N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide

C14H27N3O3S — CID 129330745

IUPACN-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCCS(=O)(=O)NCCN1CCC[C@@H]1CN(C(C)=O)C1CC1
InChIInChI=1S/C14H27N3O3S/c1-3-21(19,20)15-8-10-16-9-4-5-14(16)11-17(12(2)18)13-6-7-13/h13-15H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyBDKJZZHQRKTZHE-CQSZACIVSA-N
MW317.46 g/mol
LogP0.40
Rot. Bonds8

About N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129330745) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129330745
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCCS(=O)(=O)NCCN1CCC[C@@H]1CN(C(C)=O)C1CC1
InChIInChI=1S/C14H27N3O3S/c1-3-21(19,20)15-8-10-16-9-4-5-14(16)11-17(12(2)18)13-6-7-13/h13-15H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyBDKJZZHQRKTZHE-CQSZACIVSA-N
XLogP0.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide
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N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129343926
N-cyclopropyl-N-[[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]pyrrolidin-2-yl]methyl]acetamide
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N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 128971392
N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 128967180
N-[(1-cyclopentylpyrrolidin-2-yl)methyl]-N-cyclopropylacetamide
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N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95249606
N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344461
N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129333358
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129478609
N-cyclopropyl-N-[[1-(2-hydroxy-3-phenylpropyl)pyrrolidin-2-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide (CID 129330745) is N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide is CCS(=O)(=O)NCCN1CCC[C@@H]1CN(C(C)=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is BDKJZZHQRKTZHE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-3-21(19,20)15-8-10-16-9-4-5-14(16)11-17(12(2)18)13-6-7-13/h13-15H,3-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 317.46 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129330745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).