N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide

C16H20N2O2S — CID 44610724

IUPACN-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@H]1CCNC1
InChIInChI=1S/C16H20N2O2S/c1-21(19,20)18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m0/s1
InChIKeyMOEMPBAHOJKXBG-INIZCTEOSA-N
MW304.41 g/mol
LogP1.96
Rot. Bonds4

About N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide

N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide (PubChem CID 44610724) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
PubChem CID44610724
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@H]1CCNC1
InChIInChI=1S/C16H20N2O2S/c1-21(19,20)18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m0/s1
InChIKeyMOEMPBAHOJKXBG-INIZCTEOSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide (CID 44610724) is N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@H]1CCNC1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MOEMPBAHOJKXBG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-21(19,20)18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 44610724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).