N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide

C16H28N2O3S — CID 98756584

IUPACN-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H28N2O3S/c1-22(20,21)17-7-6-16(19)18-8-2-3-15(18)11-14-10-12-4-5-13(14)9-12/h12-15,17H,2-11H2,1H3/t12-,13-,14-,15+/m0/s1
InChIKeyXRFAYNLRYDCHMG-ZQDZILKHSA-N
MW328.48 g/mol
LogP1.74
Rot. Bonds6

About N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide

N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide (PubChem CID 98756584) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
PubChem CID98756584
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H28N2O3S/c1-22(20,21)17-7-6-16(19)18-8-2-3-15(18)11-14-10-12-4-5-13(14)9-12/h12-15,17H,2-11H2,1H3/t12-,13-,14-,15+/m0/s1
InChIKeyXRFAYNLRYDCHMG-ZQDZILKHSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide with MolForge

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Related Compounds

1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 119766483
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119766501
3-amino-1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119766494
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]ethanone
CID 119766487
1-[(2S)-2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 98756563
1-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 98756572
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119766499
1-[2-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 102554512
N-[[(3R)-1-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 98750463
N-[3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56779064
[(2S)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 98756565
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 79546050

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide (CID 98756584) is N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide is CS(=O)(=O)NCCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The InChIKey is XRFAYNLRYDCHMG-ZQDZILKHSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-22(20,21)17-7-6-16(19)18-8-2-3-15(18)11-14-10-12-4-5-13(14)9-12/h12-15,17H,2-11H2,1H3/t12-,13-,14-,15+/m0/s1.
What are the key properties of N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide has a molecular weight of 328.48 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 98756584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).