N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

C18H20N2O3S — CID 146211363

IUPACN-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H20N2O3S/c1-2-24(22,23)19-12-14-9-10-20(13-14)18(21)17-8-7-15-5-3-4-6-16(15)11-17/h2-8,11,14,19H,1,9-10,12-13H2/t14-/m1/s1
InChIKeyKNHSJQWWJPBVLJ-CQSZACIVSA-N
MW344.44 g/mol
LogP2.36
Rot. Bonds5

About N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146211363) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146211363
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H20N2O3S/c1-2-24(22,23)19-12-14-9-10-20(13-14)18(21)17-8-7-15-5-3-4-6-16(15)11-17/h2-8,11,14,19H,1,9-10,12-13H2/t14-/m1/s1
InChIKeyKNHSJQWWJPBVLJ-CQSZACIVSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3,4-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210390
N-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210343
N-[[(3S)-1-(3,5-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211417
N-[[(3S)-1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210524
N-[[1-[4-(dimethylamino)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211753
N-[[(3S)-1-[4-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210694
N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210341
N-[[(3S)-1-(2,6-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211405
N-[[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210339
N-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210419
N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211914
[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 155977046

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146211363) is N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is KNHSJQWWJPBVLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-24(22,23)19-12-14-9-10-20(13-14)18(21)17-8-7-15-5-3-4-6-16(15)11-17/h2-8,11,14,19H,1,9-10,12-13H2/t14-/m1/s1.
What are the key properties of N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146211363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).